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29 pages, 3138 KB  
Review
FRP–Steel Composite Tube Confined Seawater–Sea-Sand Concrete Columns: State-of-the-Art Review
by Songbai Jiang, Lei Wu, Changnian Chen, Jun Tian, Chongying Ling, Rihao Mai, Hao Fu, Ping Lyu and Hanwen Cui
Buildings 2026, 16(7), 1351; https://doi.org/10.3390/buildings16071351 - 29 Mar 2026
Abstract
With the depletion of river sand and the rapid expansion of marine infrastructure, seawater–sea-sand concrete (SSC) has attracted increasing attention due to its low cost and sustainability. However, the high chloride content in SSC accelerates steel corrosion. This significantly limits its use in [...] Read more.
With the depletion of river sand and the rapid expansion of marine infrastructure, seawater–sea-sand concrete (SSC) has attracted increasing attention due to its low cost and sustainability. However, the high chloride content in SSC accelerates steel corrosion. This significantly limits its use in conventional reinforced concrete structures. In recent years, the rise in FRP–steel composite confinement has offered a new solution to this durability bottleneck. Based on this background, scholars have proposed a new type of FRP–steel composite tube confined seawater–sea-sand concrete (FCTSSC) column. This paper reviews the research progress on SSC, CFST, FCFST, and FCTSSC. The latter systems are developed based on the former. The results show that advanced FCTSSC columns exhibit strong synergistic confinement between the FRP and the steel tube when compared with CFST and FCFST. This synergy enhances the bearing capacity, ductility, and post-peak behavior of SSC. Both external and internal FRP configurations can reduce the brittleness and expansion of SSC. They also effectively restrain local buckling of the steel tube. Existing studies mainly focus on short columns. Research on intermediate slender and slender columns remains limited. This includes structural behavior, rational design models, and long-term durability. Finally, future research directions are proposed to support the practical application of FCTSSC in marine engineering. Full article
(This article belongs to the Section Building Structures)
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10 pages, 3571 KB  
Article
Experimental Validation and Integrated Multi-Physics Analysis of High-Speed Interior Permanent Magnet Synchronous Motor for Marine Exhaust Gas Recirculation Blower System
by WonYoung Jo, DongHyeok Son and YunHyun Cho
Energies 2026, 19(7), 1663; https://doi.org/10.3390/en19071663 - 27 Mar 2026
Viewed by 130
Abstract
This study explores an integrated multi-physics design approach for a high-speed Interior Permanent Magnet Synchronous Motor (IPMSM) optimized for marine diesel engine Exhaust Gas Recirculation (EGR) blower systems. To satisfy the rigorous operational demands of marine environments, an IPMSM with a rated output [...] Read more.
This study explores an integrated multi-physics design approach for a high-speed Interior Permanent Magnet Synchronous Motor (IPMSM) optimized for marine diesel engine Exhaust Gas Recirculation (EGR) blower systems. To satisfy the rigorous operational demands of marine environments, an IPMSM with a rated output of 150 kW and a base speed of 9000 rpm was developed. The design validity was rigorously verified through a comprehensive multi-physics framework using the Finite Element Method (FEM), ensuring a balance between electromagnetic, thermal, and mechanical performance. The investigation established a mathematical model for the IPMSM driven by a Space Vector Pulse-Width Modulation (SVPWM) inverter, facilitating a detailed analysis of steady-state characteristics within the EGR system. To guarantee long-term reliability at high rotational speeds, the study performed an integrated thermal analysis based on precise electrical loss separation and a rotor-dynamic evaluation focusing on unbalanced vibration responses of the shaft. Finally, the proposed design was validated by integrating the IPMSM into a full-scale EGR blower system. Experimental evaluations across the entire operating range confirm that the integrated design successfully achieves the high power density and mechanical robustness required for marine diesel applications. Full article
(This article belongs to the Collection Electrical Power and Energy System: From Professors to Students)
19 pages, 1656 KB  
Article
Assessment of Combined Cylinder Deactivation and Late Exhaust Valve Opening for After-Treatment Thermal Management in a Diesel Engine
by Hasan Ustun Basaran
Energies 2026, 19(7), 1646; https://doi.org/10.3390/en19071646 - 27 Mar 2026
Viewed by 235
Abstract
Exhaust after-treatment (EAT) thermal management remains a critical challenge for diesel engines operating under low-load conditions, where low exhaust temperatures delay catalyst light-off and reduce emission control efficiency. This operating regime is common in marine auxiliary engines and onboard diesel generator sets during [...] Read more.
Exhaust after-treatment (EAT) thermal management remains a critical challenge for diesel engines operating under low-load conditions, where low exhaust temperatures delay catalyst light-off and reduce emission control efficiency. This operating regime is common in marine auxiliary engines and onboard diesel generator sets during hoteling, maneuvering, and partial-electrical-load conditions. Conventional strategies such as late fuel injection or exhaust throttling can increase exhaust temperature but often result in significant fuel consumption penalties. This study numerically investigates the combined use of late exhaust valve opening (LEVO) and cylinder deactivation (CDA) to enhance EAT thermal management with a reduced fuel penalty. A six-cylinder diesel engine is analyzed at a low-load condition (1200 RPM, 2.5 bar BMEP) using a calibrated one-dimensional engine simulation model. LEVO applied to all cylinders increases exhaust temperature to approximately 250 °C, but with a considerable increase in fuel consumption. When two cylinders are deactivated and the remaining cylinders operate with LEVO, airflow and pumping losses decrease, enabling higher exhaust temperatures at comparable fuel consumption levels. Despite a 30% reduction in exhaust mass flow rate, the higher exhaust temperature dominates EAT heat transfer. Consequently, the combined strategy increases EAT heat transfer by up to 143% and achieves exhaust temperatures approaching 295 °C. These results indicate that combined valve timing and load redistribution through CDA can improve the exhaust temperature–mass flow trade-off, providing a potential pathway for enhanced EAT warm-up during low-load operation within the limitations of the numerical model. Full article
(This article belongs to the Special Issue Internal Combustion Engines: Research and Applications—3rd Edition)
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24 pages, 4367 KB  
Article
A Physics-Constrained Hybrid Deep Learning Model for State Prediction in Shipboard Power Systems
by Jiahao Wang, Xiaoqiang Dai, Mingyu Zhang, Kaikai You and Jinxing Liu
Modelling 2026, 7(2), 65; https://doi.org/10.3390/modelling7020065 - 26 Mar 2026
Viewed by 183
Abstract
Accurate and physically consistent state prediction is essential for shipboard power systems (SPS) operating under dynamic conditions. However, purely data-driven models often exhibit degraded robustness and physically inconsistent outputs when exposed to transient disturbances or limited data coverage. To address these limitations, this [...] Read more.
Accurate and physically consistent state prediction is essential for shipboard power systems (SPS) operating under dynamic conditions. However, purely data-driven models often exhibit degraded robustness and physically inconsistent outputs when exposed to transient disturbances or limited data coverage. To address these limitations, this paper proposes a physics-constrained hybrid prediction model that integrates a convolutional neural network–bidirectional long short-term memory (CNN–BiLSTM) architecture with wide residual connections (WRC) and a physics-constrained loss (PCL). The proposed modeling approach combines real operational measurement data with high-resolution simulation data to enhance data diversity and improve generalization capability. The CNN–BiLSTM structure captures nonlinear temporal dependencies, while the WRC preserves critical low-level transient electrical features during deep temporal modeling. In addition, multiple physical constraints, including power balance, voltage conversion relationships, and battery state-of-charge (SOC) dynamics, are incorporated into the training process to enforce physically consistent predictions. The model is validated using charging and discharging experiments on a laboratory-scale SPS under both steady-state and transient conditions. Comparative results demonstrate that the proposed approach achieves higher prediction accuracy, improved dynamic stability, and faster recovery following disturbances compared with conventional data-driven models. These results indicate that physics-constrained deep learning provides an effective and interpretable modeling framework for SPS state prediction, supporting digital twin-oriented monitoring and real-time prediction applications. Full article
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19 pages, 7161 KB  
Article
Analysis of Microscopic Characteristics of Marine Clay Under Salinity Influence: ESEM, Zeta Potential and DLS Tests
by Shuai Yuan, Yi Shan, Zhirong Lu, He’an Xie, Yadong Li and Jie Cui
J. Mar. Sci. Eng. 2026, 14(7), 607; https://doi.org/10.3390/jmse14070607 - 26 Mar 2026
Viewed by 163
Abstract
Marine clay serves as the natural foundation for various types of offshore and marine engineering structures and therefore plays a critical role in marine engineering practice. Consequently, a thorough understanding of the microstructural characteristics of marine clay is of great importance. In this [...] Read more.
Marine clay serves as the natural foundation for various types of offshore and marine engineering structures and therefore plays a critical role in marine engineering practice. Consequently, a thorough understanding of the microstructural characteristics of marine clay is of great importance. In this study, two types of artificial marine clays with high and low clay contents were selected. Environmental scanning electron microscopy (ESEM), zeta potential measurements, and dynamic light scattering (DLS) tests were conducted to investigate the microstructure, surface electrical potential, and aggregation behavior of marine clay. The results revealed that the high-clay-content sample exhibited more compact particle connections, while the low-clay-content sample displayed a relatively loose structure. The addition of salt altered the particle distribution within the soil, increasing the aggregation of fine clay particles, which in turn compressed the diffuse double layer between particles. This caused changes in the surface electrokinetic potential of clay mineral particles and enhanced the stability of the soil samples. DLS tests on the high-clay-content sample showed that the aggregation state of clay particles was highly sensitive to salinity, with particle size initially increasing and then decreasing as salinity increased. Full article
(This article belongs to the Special Issue Advances in Marine Geomechanics and Geotechnics)
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15 pages, 4308 KB  
Article
Experimental Study on the Dynamic Response and Energy Absorption Mechanism of Honeycomb Structures in Water Environments
by Shujian Yao, Jiawei Wu, Yanjing Wang, Feipeng Chen, Hui Zhou, Kai Liu and Eryong Hou
Appl. Sci. 2026, 16(7), 3180; https://doi.org/10.3390/app16073180 - 26 Mar 2026
Viewed by 260
Abstract
Driven by the requirements of lightweight design and efficient impact protection, biomimetic hexagonal honeycomb structures have been widely used for energy absorption. However, their dynamic response and energy absorption behavior in underwater environments remain insufficiently understood. To address this gap, this study investigates [...] Read more.
Driven by the requirements of lightweight design and efficient impact protection, biomimetic hexagonal honeycomb structures have been widely used for energy absorption. However, their dynamic response and energy absorption behavior in underwater environments remain insufficiently understood. To address this gap, this study investigates the impact response and deformation mechanisms of aluminum honeycomb structures under fully submerged conditions relevant to marine engineering. We fabricated honeycomb cores from 5052-H18 aluminum alloy and developed a custom fixture for fluid–structure interaction tests under underwater drop hammer impact conditions. Using force sensors and high-speed photography, we characterized the dynamic impact behavior through load–time and velocity–time responses. Results demonstrate that drainage holes in the support plate serve a dual function: they enable the structure to maintain stable deformation and absorb energy underwater while also significantly enhancing energy absorption capacity. Specifically, the mean crushing force increases by 156.5%, and the energy absorption capacity increases by 333% compared to performance in air. This enhancement arises from the plastic deformation of cell walls and the additional energy dissipation induced by fluid–structure interaction. Overall, this study clarifies the dynamic compression behavior of aluminum honeycombs in underwater environments and demonstrates their potential for marine energy-absorption applications. Full article
(This article belongs to the Special Issue Blasting Analysis and Impact Engineering on Materials and Structures)
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38 pages, 1578 KB  
Review
Disorder, Topology, and Fluid Mechanics: Symmetry Breaking and Mechanical Function in Complex Structures
by Yifan Zhang
Symmetry 2026, 18(4), 562; https://doi.org/10.3390/sym18040562 - 25 Mar 2026
Viewed by 148
Abstract
Fluid mechanics in disordered structures gives rise to rich multiscale dynamics through the interplay of topology, symmetry breaking, and fluid–structure interactions. Heterogeneous networks encode mechanical responses, regulate flow organization, and shape energy dissipation, enabling memory effects and emergent collective behaviors across both natural [...] Read more.
Fluid mechanics in disordered structures gives rise to rich multiscale dynamics through the interplay of topology, symmetry breaking, and fluid–structure interactions. Heterogeneous networks encode mechanical responses, regulate flow organization, and shape energy dissipation, enabling memory effects and emergent collective behaviors across both natural and engineered systems. These principles operate across vast scales: from seamounts with characteristic scales of L103m and Froude numbers Fr102101 generating deep-ocean turbulent mixing, to marine tidal turbines operating at Reynolds numbers Re107108 and Euler numbers Eu101100, where inertial forces dominate flow dynamics. Although the dominant physical forces may vary across scales—for example, planetary rotation and stratification in large-scale oceanic flows versus viscous or interfacial effects in microscale systems—the comparison of dimensionless parameters provides a useful framework for discussing similarities in flow organization and scaling behavior. Empirical observations, network-based descriptions, and multiscale simulations collectively demonstrate how topological features constrain symmetry, organize transport pathways, and support predictive reconstruction and inverse design. These principles underpin applications ranging from engineered systems that exploit broken symmetries to rectify chaotic transport, to biological architectures where flows mediate information transfer, locomotion, and structural self-organization. In this Review, we synthesize recent advances to propose a unifying physical paradigm: fluid flows actively interact with disorder, reorganize dissipation, and convert structural asymmetry into functional mechanical performance across scales. Full article
(This article belongs to the Section Physics)
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14 pages, 2860 KB  
Article
Design and Study of a Microfluidic Chip for Two-Stage Sorting of Oil Wear Debris Based on Magnetophoretic
by Zhiwei Xu, Hongpeng Zhang, Haotian Shi, Wenbo Han and Bo Liu
Micromachines 2026, 17(4), 397; https://doi.org/10.3390/mi17040397 (registering DOI) - 25 Mar 2026
Viewed by 119
Abstract
Oil analysis is one of the main means to obtain the working status of important friction pairs in ship and Marine engineering equipment at present. Analyzing the wear mechanism by analyzing the particle size, morphology, properties and other characteristics of metal abrasive particles [...] Read more.
Oil analysis is one of the main means to obtain the working status of important friction pairs in ship and Marine engineering equipment at present. Analyzing the wear mechanism by analyzing the particle size, morphology, properties and other characteristics of metal abrasive particles in the oil is an important basis for achieving health monitoring and scientific maintenance of ship and Marine engineering equipment. Classifying the abrasive particles in the oil according to their particle size is an important step in sample pretreatment. This paper proposes a two-stage sorting microfluidic chip for wear debris based on magnetophoresis. By setting up external permanent magnets in a stepwise manner in the primary and secondary sorting areas, gradient magnetic fields of different magnitudes were formed. The effects of different sample flow rates, sheath fluid flow rates and sheath flow ratios on the pre-focusing before sorting and the sorting effect were studied. The primary sorting of ferromagnetic metal wear particles larger than 50 µm and the secondary sorting of those smaller than 50 µm have been achieved. The primary sorting can serve as an early warning for abnormal equipment wear, while the secondary sorting can provide data support for the scientific formulation of maintenance plans based on equipment requirements. This work provides a new idea and method for the rapid determination of lubricating oil contamination in engineering equipment. Full article
(This article belongs to the Special Issue Microfluidic Chips: Definition, Functions and Applications)
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15 pages, 6527 KB  
Article
Collapse Dynamics of Unequal-Sized Dual Cavitation Bubbles
by Wenrui Xue, Jihao Xie, Guanghua Wang, Daqing He, Xiaoyu Wang, Yuning Zhang, Jinsen Hu and Xu Qiu
Appl. Sci. 2026, 16(7), 3154; https://doi.org/10.3390/app16073154 - 25 Mar 2026
Viewed by 208
Abstract
In engineering flow systems such as hydraulic machinery and marine propulsion, interactions among cavitation bubbles can significantly influence collapse dynamics. This study investigates the collapse behavior of unequal-sized dual cavitation bubbles in a free field, focusing on jet formation modes, morphological evolution, and [...] Read more.
In engineering flow systems such as hydraulic machinery and marine propulsion, interactions among cavitation bubbles can significantly influence collapse dynamics. This study investigates the collapse behavior of unequal-sized dual cavitation bubbles in a free field, focusing on jet formation modes, morphological evolution, and the characteristics of the Bjerknes force and Kelvin impulse. Particular emphasis is placed on the effect of the bubble radius ratio on the collapse dynamics. The results indicate that: (1) as the radius ratio decreases, the counter-directed jets formed during the collapse of dual cavitation bubbles gradually disappear; (2) with a decreasing radius ratio, the amplitude of the bubble wall velocity first decreases and then increases; and (3) both the Bjerknes force and the Kelvin impulse decrease as the radius ratio decreases. Full article
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38 pages, 774 KB  
Review
Plant-Based Biomaterials as Bio-Instructive Immunomodulators: Design Principles, Mechanisms, and Translational Challenges
by Stefania Lamponi
Life 2026, 16(4), 538; https://doi.org/10.3390/life16040538 - 24 Mar 2026
Viewed by 218
Abstract
Plant-based biomaterials are increasingly recognized as bio-instructive platforms capable of actively modulating immune responses rather than functioning solely as passive structural supports. In this context, the term plant-based refers to photosynthetic biomass-derived platforms, including both terrestrial plants and marine macroalgae, reflecting their shared [...] Read more.
Plant-based biomaterials are increasingly recognized as bio-instructive platforms capable of actively modulating immune responses rather than functioning solely as passive structural supports. In this context, the term plant-based refers to photosynthetic biomass-derived platforms, including both terrestrial plants and marine macroalgae, reflecting their shared richness in polysaccharides and secondary metabolites relevant to immune engineering and regenerative medicine. This review critically synthesizes current evidence on plant-derived polysaccharides and phytochemicals, including algal sulfated polysaccharides (fucoidan, alginate, carrageenan, and ulvan), terrestrial plant polysaccharides (e.g., Lycium barbarum and Aloe vera derivatives), polyphenols, and other secondary metabolites such as terpenoids and alkaloids, highlighting their roles as immunomodulators in biomedical contexts. Key mechanisms include macrophage polarization along an M1–M2 continuum, pattern recognition receptor engagement, redox and metabolic regulation, and crosstalk between innate and adaptive immunity, with emphasis on context-dependent signaling and structural heterogeneity. Material design parameters, including molecular weight and chemical functionalization, are critical determinants of immune responses. Advanced delivery systems, such as hydrogels, nanocomposites, phytosomes, and plant-derived extracellular vesicles (EVs), enable improved stability and spatiotemporal control. Applications in wound and musculoskeletal regeneration are discussed alongside translational challenges, including variability, reproducibility, regulatory issues, and the need for standardized characterization and immune validation. Full article
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24 pages, 3552 KB  
Article
Optimization of the Spatial Position of the Vibration Acceleration Sensor and the Method of Determining Limit Values in the Diagnostics of Combustion Engine Injection System
by Jan Monieta and Lech Władysław Kasyk
Sensors 2026, 26(6), 1981; https://doi.org/10.3390/s26061981 - 22 Mar 2026
Viewed by 313
Abstract
A new procedure for diagnosing damage to the fuel injection system of marine engines, along with vibration acceleration signal symptoms, is explored with a related built, developed, and tested measuring system. This work fills an important gap given the current lack of a [...] Read more.
A new procedure for diagnosing damage to the fuel injection system of marine engines, along with vibration acceleration signal symptoms, is explored with a related built, developed, and tested measuring system. This work fills an important gap given the current lack of a scientific solution to this problem. A vibration acceleration signal sensor, mounted on a holder elaborated on by the authors, is positioned on the injection pipe between the injection pump and the injector. The output signals from the sensor are sent to an acquisition and analysis system, which is used for processing the signals in the time, amplitude, frequency, and time–frequency domains. Experimental choices, using multiple parameters for a given signal analysis field, are based on the location of the optimal sensor, the direction of the sensor mounting, and the selection of a cumulative diagnostic symptom. The vibration acceleration signals recorded along the injection pipe are found to have the strongest magnitude. This article compares diagnostic values from these signals with previously determined upper and lower limits. As a result, the tested fuel injection system is classified as either able or disabled, using unparalleled tolerance ranges given for both the upper and lower limits. The values of the limits are determined based on the average value for an ability state plus or minus three times the standard error of this mean, which has not been reported in the literature previously. Multiple regression models are developed that relate identified symptoms to the state features of the fuel injection system. In addition, artificial neural networks and machine learning are used to detect developing damage. The probability of correctly classifying the states of the diagnostic parameters is 0.467, alongside a diagnostic accuracy of ≤±4%, with the network correctly classifying the state when the testing accuracy is at least 70.0%. Full article
(This article belongs to the Section Fault Diagnosis & Sensors)
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32 pages, 10049 KB  
Article
Evolution Mechanism and Cyclic Degradation Model of Ultimate Bearing Capacity for Suction Caissons Under Inclined Combined Loading
by Kang Huang, Bingzhen Yu, Bo Liu, Liji Huang, Huiyuan Deng, Wenbo Zhu and Guoliang Dai
Appl. Sci. 2026, 16(6), 3017; https://doi.org/10.3390/app16063017 - 20 Mar 2026
Viewed by 173
Abstract
In the marine environment, the suction caisson foundation (SCF) is often subjected to combined inclined and cyclic loading from wind and waves, which may significantly affect its ultimate bearing capacity. Under combined loading conditions, the evolution of ultimate bearing capacity is influenced by [...] Read more.
In the marine environment, the suction caisson foundation (SCF) is often subjected to combined inclined and cyclic loading from wind and waves, which may significantly affect its ultimate bearing capacity. Under combined loading conditions, the evolution of ultimate bearing capacity is influenced by multiple factors, and the corresponding bearing capacity envelopes have become key issues that urgently need to be addressed. In this study, a series of model tests and numerical simulations were conducted considering the effects of load inclination angle, loading position, aspect ratio, soil undrained shear strength, and interface friction coefficient. The results show that under static loading conditions, as the loading depth increases, the load inclination angle corresponding to the maximum bearing capacity decreases from 45° to 0°. As the cyclic load ratio and static load ratio increase, cyclic loading significantly intensifies displacement accumulation and the degradation of ultimate bearing capacity. As the loading depth increases, the failure mechanism transitions from rotation-dominated to translation-dominated behavior. In addition, the ultimate bearing capacity increases monotonically with increasing aspect ratio, interface friction coefficient, and soil undrained shear strength. A normalized V–H bearing capacity envelope was established, which shows good agreement with the experimental and numerical results. By introducing a cyclic bearing capacity degradation coefficient, a modified envelope was proposed to describe the evolution of ultimate bearing capacity under cyclic loading conditions. The bearing capacity evolution patterns and envelope method proposed in this study provide a useful reference for the engineering design of SCF. Full article
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35 pages, 3897 KB  
Review
Marine Bioactive Compounds from Functional Seafoods: Pharmacological Mechanisms and Health Applications
by Sena Davran Bulut, Naciye Yaktubay Döndaş, Senanur Koçhan, Beyza Nur Arslan, Mehmet Ali Tamer, Mirsade Osmani, Safa Baraketi, Khaoula Khwaldia, Ziye Zhang, Hacı Ali Döndaş, Tuba Esatbeyoglu, Panagiota Katikou and Fatih Ozogul
Mar. Drugs 2026, 24(3), 116; https://doi.org/10.3390/md24030116 - 20 Mar 2026
Viewed by 440
Abstract
Functional seafoods derived from marine organisms, including fish, shellfish and algae, are gaining increasing attention due to their high content of bioactive compounds, such as omega-3 fatty acids, peptides, polysaccharides and antioxidants, which provide health benefits beyond basic nutrition. These marine-derived compounds exhibit [...] Read more.
Functional seafoods derived from marine organisms, including fish, shellfish and algae, are gaining increasing attention due to their high content of bioactive compounds, such as omega-3 fatty acids, peptides, polysaccharides and antioxidants, which provide health benefits beyond basic nutrition. These marine-derived compounds exhibit a wide range of biological activities and have been investigated for their potential roles in the prevention and management of chronic diseases, including cardiovascular, neurodegenerative, cancer and gastrointestinal disorders. Their effects are largely mediated through anti-inflammatory, antioxidant and immunomodulatory mechanisms. Advances in biotechnology, including genetic engineering and improved extraction of bioactive compounds, have enhanced the nutritional quality and pharmacological relevance of functional seafoods. At the same time, sustainable aquaculture practices are being developed to reduce environmental impacts. Nevertheless, challenges such as regulatory inconsistencies, scalability issues and limited understanding of bioavailability and long-term effects still persist. These constraints should be considered when interpreting mechanistic and efficacy findings presented across different study designs and exposure conditions. Future perspectives highlight innovations in precision aquaculture, waste valorisation and traceability as key strategies to improve sustainability and strengthen consumer trust. This review summarizes current knowledge on functional seafoods, with emphasis on pharmacological mechanisms, clinical applications and the need for interdisciplinary research to optimize their health benefits and commercial potential. Full article
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17 pages, 4203 KB  
Article
Temperature-Dependent Active-Site Rearrangements of PETaseSM14: Insights from Molecular Dynamics Simulations
by Ki Hyun Nam
Int. J. Mol. Sci. 2026, 27(6), 2825; https://doi.org/10.3390/ijms27062825 - 20 Mar 2026
Viewed by 259
Abstract
Polyethylene terephthalate (PET) is a synthetic polymer that is widely used in the production of textiles, packaging materials, and beverage bottles. However, its high durability and resistance to abiotic degradation result in serious environmental and health problems. PETase is an enzyme that can [...] Read more.
Polyethylene terephthalate (PET) is a synthetic polymer that is widely used in the production of textiles, packaging materials, and beverage bottles. However, its high durability and resistance to abiotic degradation result in serious environmental and health problems. PETase is an enzyme that can depolymerize PET into value-added products, thereby providing an environmentally friendly strategy for PET recycling. PETaseSM14 from a marine sponge, Streptomyces sp. SM14, has a high salt tolerance and thermal stability, thus suggesting its potential for PET degradation applications. However, the substrate recognition mechanism of PETase remains unclear because the catalytic residue is buried within residues that form the substrate-binding cleft. To elucidate the molecular mechanism of PETaseSM14, all-atom molecular dynamics simulations were performed at 300, 320, and 340 K. The results revealed that the overall α/β fold remained stable at all temperatures, whereas temperature-dependent local fluctuations and conformational changes were observed in the substrate-binding cleft and N-terminal region. At 300 and 320 K, positional shifts and conformational changes in Tyr88 exposed the catalytic Ser156 to the solvent, thereby forming a potential substrate-binding cleft. In contrast, at 340 K, which is higher than the melting temperature of PETaseSM14, disruption of the charge-relay system of the catalytic triad occurs through conformational changes in His234. Substantial temperature-dependent conformational and positional changes in the N-terminal region of PETaseSM14 were observed at 320 and 340 K. These results provide mechanistic insight into the temperature-dependent active-site rearrangements and offer rational engineering strategies to enhance the efficiency of PETase for PET biodegradation. Full article
(This article belongs to the Special Issue Molecular Dynamics Simulation of Biomolecules)
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39 pages, 431 KB  
Conference Report
Abstracts of the 1st International Online Conference on Marine Science and Engineering (IOCMSE 2025)
by Charitha Pattiaratchi and Carlos Guedes Soares
Environ. Earth Sci. Proc. 2026, 41(1), 5; https://doi.org/10.3390/eesp2026041005 - 19 Mar 2026
Viewed by 192
Abstract
The 1st International Online Conference on Marine Science and Engineering (IOCMSE 2025) was held virtually from 24 to 26 November 2025 [...] Full article
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