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Keywords = axial coordination

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21 pages, 4352 KiB  
Article
Research on Startup Characteristics of Parallel Axial-Flow Pump Systems
by Chao Yang, Chao Li, Lingling Deng and You Fu
Water 2025, 17(15), 2285; https://doi.org/10.3390/w17152285 - 31 Jul 2025
Viewed by 152
Abstract
This study takes four parallel axial-flow pumps (three in operation + one on standby) as the research object. Using a 1D–3D coupling method, it explores the flow characteristics of axial-flow pumps under different startup strategies during multi-pump parallel operation. Through comparative analysis, the [...] Read more.
This study takes four parallel axial-flow pumps (three in operation + one on standby) as the research object. Using a 1D–3D coupling method, it explores the flow characteristics of axial-flow pumps under different startup strategies during multi-pump parallel operation. Through comparative analysis, the following conclusions are drawn: when all three pumps start simultaneously, the internal pressure exceeds the rated head by 23.43%, and the reverse flow reaches 10.57% of the rated flow. When starting the pumps sequentially with 5 s intervals, the pressure can be reduced to 11.41% above the rated head, but the reverse flow increases to 13.87%. Further extending the startup interval to 15 s results in only minimal improvements compared to 5 s intervals: the maximum internal pressure and maximum reverse flow decrease by just 0.97% and 0.05%, respectively. When valve coordination is added to the 5 s sequential startup strategy (pre-opening the valve to 60% before pump startup), the pressure exceeds the rated head by 10.49%, and the reverse flow exceeds the rated flow by 6.04%. In this scenario, the high-pressure areas and high-turbulence zones on the blade back surfaces are significantly reduced, achieving optimal flow stability. Therefore, the parallel system startup should adopt a coordinated strategy combining moderate time intervals with 60% valve pre-opening. This approach can both avoid excessive pressure impact and effectively control reverse flow phenomena, providing an important basis for optimizing the startup of multi-pump parallel systems. Full article
(This article belongs to the Section Hydraulics and Hydrodynamics)
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12 pages, 735 KiB  
Article
Perceived Barriers and Facilitators in Cardiovascular Risk Management in Colombia: A Qualitative Analysis of the RE-HOPE Study
by Jose P. Lopez-Lopez, Yesica Giraldo-Castrillon, Johanna Otero, Claudia Torres, Alvaro Castañeda-Hernandez, Daniel Martinez-Bello, Claudia Garcia, Marianne Lopez-Cabrera and Patricio Lopez-Jaramillo
Int. J. Environ. Res. Public Health 2025, 22(8), 1199; https://doi.org/10.3390/ijerph22081199 - 31 Jul 2025
Viewed by 147
Abstract
Introduction: Low medication adherence and low hypertension control are a public health challenge, particularly in low- and middle-income countries (LMICs). Healthcare system- and patient-related barriers hinder the successful management of hypertension. This study aimed to identify the perceptions of barriers and facilitators to [...] Read more.
Introduction: Low medication adherence and low hypertension control are a public health challenge, particularly in low- and middle-income countries (LMICs). Healthcare system- and patient-related barriers hinder the successful management of hypertension. This study aimed to identify the perceptions of barriers and facilitators to hypertension management among health system stakeholders in Santander, Colombia. Materials and Methods: We conducted a qualitative, phenomenological, and interpretative study, comprising five focus groups, to explore the barriers and facilitators to managing people with hypertension. Each focus group was formed by stakeholders from territorial entities, healthcare insurers, or healthcare providers. Meetings were held between December 2022 and February 2023. The sessions were recorded and transcribed using NVivo Transcription and analyzed using NVivo version 1.6.1. Results: Seven categories of barriers and facilitators were identified: strategies, resources, access, risk assessment, cross-sector collaboration, articulation, and stewardship. Of these categories, articulation and stewardship emerged as the main barriers, as revealed through axial coding and cluster analysis, which highlighted deficiencies in stewardship practices, a lack of clear objectives, and misalignment with public policy frameworks. Conclusions: Multisectoral actions extending beyond healthcare providers and aimed at improving coordination and intersectoral collaboration are essential for enhancing hypertension control in LMICs, such as Colombia. Addressing social determinants and strengthening primary healthcare through community-based strategies are critical, making stewardship and improved access key priorities. Full article
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17 pages, 3073 KiB  
Article
Synthesis, Characterization, and Anticancer Activity of 3-Chlorothiophene-2-carboxylic Acid Transition Metal Complexes
by Baiquan Hu, Qianqian Kang, Xianggao Meng, Hao Yin, Xingzhi Yang, Yanting Yang and Mei Luo
Inorganics 2025, 13(7), 238; https://doi.org/10.3390/inorganics13070238 - 11 Jul 2025
Viewed by 537
Abstract
In this study, 3-chlorothiophene-2-carboxylic acid (HL) was used as a main ligand to successfully synthesize four novel complexes: [Cu(L)2(Py)2(OH2)2] (1), [Co(L)2(Py)2(OH2)2] (2) (Py [...] Read more.
In this study, 3-chlorothiophene-2-carboxylic acid (HL) was used as a main ligand to successfully synthesize four novel complexes: [Cu(L)2(Py)2(OH2)2] (1), [Co(L)2(Py)2(OH2)2] (2) (Py = pyridine), [{Ni(L)2(OH2)4}2{Ni(L)(OH2)5}]L•5H2O (3), and [{Co(L)2(OH2)4}2{Co(L)(OH2)5}]L•5H2O (4). All four compounds were identified by elemental analysis and ESI mass spectrometry, and subsequently characterized by IR spectroscopy, UV-visible diffuse reflectance spectroscopy, electron paramagnetic resonance spectroscopy, thermogravimetric analysis, single-crystal X-ray crystallography, and cyclic voltammetry. X-ray analyses revealed that complexes 1 and 2 exhibit a centrosymmetric pseudo-octahedral coordination geometry; the copper (II) and cobalt (II) metal ions, respectively, are located at the crystallographic center of inversion. The coordination sphere of the copper (II) complex is axially elongated in accordance with the Jahn–Teller effect. Intriguingly, for charge neutrality, compounds 3 and 4 crystallized as three independent mononuclear octahedrally coordinated metal centers, which are two [ML2(OH2)4] complex molecules and one [ML(OH2)5]+ complex cation (M = NiII and CoII, respectively), with the ligand anion L serving as the counter ion. The anticancer activities of these complexes were systematically assessed on human leukemia K562 cells, lung cancer A549 cells, liver cancer HepG2 cells, breast cancer MDA-MB-231 cells, and colon cancer SW480 cells. Among them, complex 4 shows significant inhibitory effects on leukemia K562 cells and colon cancer SW480 cells. Full article
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23 pages, 3072 KiB  
Article
Zone-Wise Uncertainty Propagation and Dimensional Stability Assessment in CNC-Turned Components Using Manual and Automated Metrology Systems
by Mohammad S. Alsoufi, Saleh A. Bawazeer, Mohammed W. Alhazmi, Hani Alhazmi and Hasan H. Hijji
Machines 2025, 13(7), 585; https://doi.org/10.3390/machines13070585 - 6 Jul 2025
Viewed by 231
Abstract
Accurate measurement uncertainty quantification and its propagation are critical for dimensional compliance in precision manufacturing. This study presents a novel framework that examines the evolution of measurement error along the axial length of CNC-turned components, focusing on spatial and material-specific factors. A systematic [...] Read more.
Accurate measurement uncertainty quantification and its propagation are critical for dimensional compliance in precision manufacturing. This study presents a novel framework that examines the evolution of measurement error along the axial length of CNC-turned components, focusing on spatial and material-specific factors. A systematic experimental comparison was conducted between a manual Digital Vernier Caliper (DVC) and an automated Coordinate Measuring Machine (CMM) using five engineering materials: Aluminum Alloy 6061, Brass C26000, Bronze C51000, Carbon Steel 1020 Annealed, and Stainless Steel 304 Annealed. Dimensional measurements were taken from five consecutive machining zones to capture localized metrological behaviors. The results indicated that the CMM consistently achieved lower expanded uncertainty (as low as 0.00166 mm) and minimal propagated uncertainties (≤0.0038 mm), regardless of material hardness or cutting position. In contrast, the DVC demonstrated significantly higher uncertainty (up to 0.03333 mm) and propagated errors exceeding 0.035 mm, particularly in harder materials and unsupported zones affected by surface degradation and fixture variability. Root-sum-square (RSS) modeling confirmed that manual measurements are more prone to operator-induced error amplification. While the DVC sometimes recorded lower absolute errors, its substantial uncertainty margins hampered measurement reliability. To statistically validate these findings, a two-way ANOVA was performed, confirming that both the measurement system and machining zone significantly impacted uncertainty, as well as their interaction. These results emphasize the importance of material-informed and zone-sensitive metrology, highlighting the advantages of automated systems in sustaining measurement repeatability and dimensional stability in high-precision applications. Full article
(This article belongs to the Section Automation and Control Systems)
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11 pages, 1330 KiB  
Article
Failure Analysis of ICE Cylinder Units and Technology for Their Elimination
by Volodymyr Dzyura, Pavlo Maruschak, Roman Bytsa, Roman Komar, Volodymyr Teslia and Abdellah Menou
Eng 2025, 6(7), 152; https://doi.org/10.3390/eng6070152 - 4 Jul 2025
Viewed by 283
Abstract
The mechanisms of in-service damage caused to the cylinder units of internal combustion engines (ICE) during their operation are analyzed. Long-term operation under harsh conditions, failure to comply with operating conditions, and breach of design and technology standards were found to be the [...] Read more.
The mechanisms of in-service damage caused to the cylinder units of internal combustion engines (ICE) during their operation are analyzed. Long-term operation under harsh conditions, failure to comply with operating conditions, and breach of design and technology standards were found to be the major reasons for the initiation and propagation of in-service defects. The life of ICE cylinder liners is proposed to be extended by forming regular microreliefs. This represents a promising surface engineering strategy. Axial lines of the regular microrelief’s grooves were considered using analytical dependencies, which helped determine their coordinates and those of their equidistant. The authors simulated the pattern according to which the groove axes of type II regular microrelief could be aligned on the inner surface of the cylinder liner. To this end, a tool with three deforming elements was used. Technical means have been developed to implement this technology on the working surfaces of the liner–piston group’s mating parts. Full article
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19 pages, 3233 KiB  
Article
Mathematical Modeling of the Influence of Electrical Heterogeneity on the Processes of Salt Ion Transfer in Membrane Systems with Axial Symmetry Taking into Account Electroconvection
by Ekaterina Kazakovtseva, Evgenia Kirillova, Anna Kovalenko and Mahamet Urtenov
Inventions 2025, 10(4), 50; https://doi.org/10.3390/inventions10040050 - 30 Jun 2025
Viewed by 227
Abstract
This article proposes a 3D mathematical model of the influence of electrical heterogeneity of the ion exchange membrane surface on the processes of salt ion transfer in membrane systems with axial symmetry; in particular, we investigate an annular membrane disk in the form [...] Read more.
This article proposes a 3D mathematical model of the influence of electrical heterogeneity of the ion exchange membrane surface on the processes of salt ion transfer in membrane systems with axial symmetry; in particular, we investigate an annular membrane disk in the form of a coupled system of Nernst–Planck–Poisson and Navier–Stokes equations in a cylindrical coordinate system. A hybrid numerical–analytical method for solving the boundary value problem is proposed, and a comparison of the results for the annular disk model obtained by the hybrid method and the independent finite element method is carried out. The areas of applicability of each of these methods are determined. The proposed model of an annular disk takes into account electroconvection, which is understood as the movement of an electrolyte solution under the action of an external electric field on an extended region of space charge formed at the solution–membrane boundary under the action of the same electric field. The main regularities and features of the occurrence and development of electroconvection associated with the electrical heterogeneity of the surface of the membrane disk of the annular membrane disk are determined; namely, it is shown that electroconvective vortices arise at the junction of the conductivity and non-conductivity regions at a certain ratio of the potential jump and angular velocity and flow down in the radial direction to the edge of the annular membrane. At a fixed potential jump greater than the limiting one, the formed electroconvective vortices gradually decrease with an increase in the angular velocity of rotation until they disappear. Conversely, at a fixed value of the angular velocity of rotation, electroconvective vortices arise at a certain potential jump, and with its subsequent increase gradually increase in size. Full article
(This article belongs to the Section Inventions and Innovation in Applied Chemistry and Physics)
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12 pages, 233 KiB  
Review
The Effects of Pilates in Parkinson’s Disease—A Narrative Review
by Józef Alfons Opara, Jarosław Wojciech Szczygieł, Krzysztof Mehlich and Katarzyna Szczygieł
Life 2025, 15(7), 1035; https://doi.org/10.3390/life15071035 - 29 Jun 2025
Viewed by 486
Abstract
Parkinson’s disease (PD) is one of the most well-known neurodegenerative diseases. Axial symptoms of PD include tremors in the arms and legs, stiffness of the muscles in the limbs and trunk, slow movement, impaired coordination, and balance disorders. Progressive disability increases the risk [...] Read more.
Parkinson’s disease (PD) is one of the most well-known neurodegenerative diseases. Axial symptoms of PD include tremors in the arms and legs, stiffness of the muscles in the limbs and trunk, slow movement, impaired coordination, and balance disorders. Progressive disability increases the risk of falls and leads to immobilization of the patient. Comprehensive rehabilitation plays a very important role in the treatment process and serves mainly to improve motor functions and balance. In recent years, traditional methods of rehabilitation have been enriched by sometimes unconventional modern methods, which are attractive to patients. Unfortunately, current scientific evidence for the effectiveness of these methods is insufficient. Unconventional methods being used increasingly often in the rehabilitation of patients with PD include mind–body interventions. One of these interventions is Pilates exercise, which works on a physical and mental level. In this narrative review, we present the state of the art on the effects of Pilates exercise on balance and motor functions in PD. Previous studies, the results of which are available in scientific reports, have not provided convincing evidence for the effectiveness of these methods. Between 2019 and 2024, four systematic reviews and meta-analyses on the use of Pilates in the rehabilitation of patients with PD were published. Most of the reports show many shortcomings: too small groups of patients; frequent methodological errors, such as a lack of randomization and insufficient inclusion and exclusion criteria; imprecise descriptions of the interventions; different intensities and frequencies of exercises; too different outcome measures; and poorly chosen methods of statistical evaluation. Therefore, many authors emphasize the need for further, better-planned research. Full article
(This article belongs to the Section Physiology and Pathology)
26 pages, 2927 KiB  
Article
Dimensional Accuracy and Measurement Variability in CNC-Turned Parts Using Digital Vernier Calipers and Coordinate Measuring Machines Across Five Materials
by Mohammad S. Alsoufi, Saleh A. Bawazeer, Mohammed W. Alhazmi, Hasan H. Hijji, Hani Alhazmi and Hazzaa F. Alqurashi
Materials 2025, 18(12), 2728; https://doi.org/10.3390/ma18122728 - 10 Jun 2025
Cited by 1 | Viewed by 565
Abstract
Attaining dimensional accuracy in CNC-machined parts is essential for high-precision manufacturing, especially when working with materials that exhibit varying mechanical and thermal characteristics. This research provides a thorough experimental comparison of manual and automated metrological systems, specifically the Digital Vernier Caliper (DVC) and [...] Read more.
Attaining dimensional accuracy in CNC-machined parts is essential for high-precision manufacturing, especially when working with materials that exhibit varying mechanical and thermal characteristics. This research provides a thorough experimental comparison of manual and automated metrological systems, specifically the Digital Vernier Caliper (DVC) and Coordinate Measuring Machine (CMM), as applied to five different engineering alloys through five progressively machined axial zones. The study assesses absolute error, relative error, standard deviation, and measurement repeatability, factoring in material hardness, thermal conductivity, and surface changes due to machining. The results indicate that DVC performance is significantly affected by operator input and surface irregularities, with standard deviations reaching 0.03333 mm for Bronze C51000 and relative errors surpassing 1.02% in the initial zones. Although DVC occasionally showed lower absolute errors (e.g., 0.206 mm for Aluminum 6061), these advantages were countered by greater uncertainty and poor repeatability. In comparison, CMM demonstrated enhanced precision and consistency across all materials, with standard deviations below 0.0035 mm and relative errors being neatly within the 0.005–0.015% range, even with challenging alloys like Stainless Steel 304. Furthermore, a Principal Component Analysis (PCA) was conducted to identify underlying measurement–property relationships. The PCA highlighted clear groupings based on sensitivity to error in manual versus automated methods, facilitating predictive classification of materials according to their metrological reliability. The introduction of multivariate modeling also establishes a new framework for intelligent metrology selection based on material characteristics and machining responses. These results advocate for using CMM in applications requiring precise tolerances in the aerospace, biomedical, and high-end tooling sectors, while suggesting that DVC can serve as an auxiliary tool for less critical evaluations. This study provides practical recommendations for aligning measurement techniques with Industry 4.0’s needs for accuracy, reliability, and data-driven quality assurance. Full article
(This article belongs to the Section Advanced Materials Characterization)
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24 pages, 7285 KiB  
Article
From Several Puck-like Inter-Fiber Failure Criteria to Longitudinal Compressive Failure: An Extension and Application for UD Composites
by Jiongyao Shen, Zhongxu Liu and Junhua Guo
Polymers 2025, 17(12), 1613; https://doi.org/10.3390/polym17121613 - 10 Jun 2025
Viewed by 424
Abstract
The LaRC02 criterion is a classical criterion for determining fiber kinking failure of UD laminates under longitudinal compression (LC), but its basis for determining matrix cracking in a fiber kinking coordinate system is based on stress-invariant theory rather than on a physical mechanism. [...] Read more.
The LaRC02 criterion is a classical criterion for determining fiber kinking failure of UD laminates under longitudinal compression (LC), but its basis for determining matrix cracking in a fiber kinking coordinate system is based on stress-invariant theory rather than on a physical mechanism. Herein, three Puck-like physical-mechanism-based inter-fiber failure criteria are extended to LC failure of UD composites, and thus three failure criteria (denoted as LC-Guo, LC-Li, and LC-Puck failure criteria) are constructed for fiber kinking failure determination. The stresses in the global coordinate system are transformed to the fiber kinking coordinate system by a three-level coordinate system transformation, and then the failure determination is performed using the three Puck-like criteria. The results show that the overall accuracy of the three proposed criteria is higher than that of the LaRC02 criterion, especially the LC-Guo criterion. Additionally, an analysis of the influence of material properties shows that the failure envelope curves tend to be conservative, and the predicted off-axial compression strength decreases as the transverse compression strength and in-plane shear strength increase and the transverse tensile strength decreases. This work proposes a more reasonable assessment methodology for the determination of LC failure of UD composites, which has important theoretical significance and engineering value. Full article
(This article belongs to the Section Polymer Composites and Nanocomposites)
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14 pages, 1458 KiB  
Article
Synthesis, Reductive Reactivity and Anticancer Activity of Cobalt(III)– and Manganese(III)–Salen Complexes
by Amy Kanina, Haiyu Mei, Cheska Palma, Michelle C. Neary, Shu-Yuan Cheng and Guoqi Zhang
Chemistry 2025, 7(3), 85; https://doi.org/10.3390/chemistry7030085 - 23 May 2025
Cited by 1 | Viewed by 781
Abstract
Mn(III)– and Co(III)–salen complexes (Mn-1 and Co-2) have been synthesized by a simple one-pot procedure through oxidation of Mn(II) and Co(II) precursors in air. X-ray structural analysis reveals that both complexes adopt similar coordination modes, including a typical square planar metal/salen [...] Read more.
Mn(III)– and Co(III)–salen complexes (Mn-1 and Co-2) have been synthesized by a simple one-pot procedure through oxidation of Mn(II) and Co(II) precursors in air. X-ray structural analysis reveals that both complexes adopt similar coordination modes, including a typical square planar metal/salen coordination sphere, which is further occupied by two axial ligands, i.e., an acetate anion and a water molecule. Despite their structural similarity, they are not isomorphous given their distinct cell parameters. In the solid-state structures, both complexes exist as hydrogen-bonded dimers through hydrogen bonding interactions between the axially coordinating water molecules and outer O4 cavity from another molecule of the complex. The reductive activity of both complexes has been explored. While the reaction of Mn-1 with potassium triethylborohydride was unsuccessful, leading to a complicated mixture, the use of Co-2 furnished the formation of a novel product (CoK-3) that was isolated as red crystals in reasonable yield. CoK-3 was characterized as a heterometallic dimer involving the coordination of a K+ ion within the O4 cavity of a semi-hydrogenated salen/cobalt complex while the cobalt center has been reduced from Co(III) to Co(II). In addition, an attempt at reducing Co-2 with pinacolborane resulted in the isolation of crystals of Co-4, whose structure was determined as a simple square planar CoII–salen complex. Finally, three complexes (Mn-1, Co-2 and CoK-3) have been investigated for their cytotoxic activities against two human breast cancer cell lines (MCF-7 and MDA-MB 468) and a normal breast epitheliel cell line (MCF-10A), with cisplatin used as a reference in order to discover potential drug candidates that may compete with cisplatin. The results reveal that Co-2 can be a promising drug candidate, specifically for the MCF-7 cancer cells, with minimal damage to healthy cells. Full article
(This article belongs to the Section Inorganic and Solid State Chemistry)
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17 pages, 244 KiB  
Hypothesis
Proprioceptive Resonance and Multimodal Semiotics: Readiness to Act, Embodied Cognition, and the Dynamics of Meaning
by Marco Sanna
NeuroSci 2025, 6(2), 42; https://doi.org/10.3390/neurosci6020042 - 12 May 2025
Viewed by 1843
Abstract
This paper proposes a theoretical model of meaning-making grounded in proprioceptive awareness and embodied imagination, arguing that human cognition is inherently multimodal, anticipatory, and sensorimotor. Drawing on Peircean semiotics, Lotman’s model of cultural cognition, and current research in neuroscience, we show that readiness [...] Read more.
This paper proposes a theoretical model of meaning-making grounded in proprioceptive awareness and embodied imagination, arguing that human cognition is inherently multimodal, anticipatory, and sensorimotor. Drawing on Peircean semiotics, Lotman’s model of cultural cognition, and current research in neuroscience, we show that readiness to act—a proprioceptively grounded anticipation of movement—plays a fundamental role in the emergence of meaning, from perception to symbolic abstraction. Contrary to traditional approaches that reduce language to a purely symbolic or visual system, we argue that meaning arises through the integration of sensory, motor, and affective processes, structured by axial proprioceptive coordinates (vertical, horizontal, sagittal). Using Peirce’s triadic model of interpretants, we identify proprioception as the modulatory interface between sensory stimuli, emotional response, and logical reasoning. A study on skilled pianists supports this view, showing that mental rehearsal without physical execution improves performance via motor anticipation. We define this process as proprioceptive resonance, a dynamic synchronization of embodied states that enables communication, language acquisition, and social intelligence. This framework allows for a critique of linguistic abstraction and contributes to ongoing debates in semiotics, enactive cognition, and the origin of syntax, challenging the assumption that symbolic thought precedes embodied experience. Full article
(This article belongs to the Topic Language: From Hearing to Speech and Writing)
27 pages, 8377 KiB  
Article
An Improved Multi-Objective Grey Wolf Optimizer for Aerodynamic Optimization of Axial Cooling Fans
by Yanzhao Gong, Richard Amankwa Adjei, Guocheng Tao, Yitao Zeng and Chengwei Fan
Appl. Sci. 2025, 15(9), 5197; https://doi.org/10.3390/app15095197 - 7 May 2025
Viewed by 499
Abstract
This paper introduces an improved multi-objective grey wolf optimizer (IMOGWO) and demonstrates its application to the aerodynamic optimization of an axial cooling fan. Building upon the traditional multi-objective grey wolf optimizer (MOGWO), several improvement strategies were adopted to enhance its performance. Firstly, the [...] Read more.
This paper introduces an improved multi-objective grey wolf optimizer (IMOGWO) and demonstrates its application to the aerodynamic optimization of an axial cooling fan. Building upon the traditional multi-objective grey wolf optimizer (MOGWO), several improvement strategies were adopted to enhance its performance. Firstly, the IMOGWO started population initialization based on the Bloch coordinates of qubits to ensure a high-quality initial population. Additionally, it employed a nonlinear convergence factor to facilitate global exploration and integrated the inspiration of Manta Ray Foraging to enhance the information exchange between populations. Finally, associative learning was leveraged for archive updating, allowing for perturbative mutation of solutions in crowded regions of the archive to increase solution diversity and improve the algorithm’s search capability. The proposed IMOGWO was applied to five multi-objective benchmark functions, comprising three two-objective and two three-objective problems, and experimental results were compared with three well-known multi-objective algorithms: the non-dominated sorting genetic algorithm II (NSGA II), MOGWO, and the multi-objective multi-verse optimizer (MOMVO). It is demonstrated that the proposed algorithm had advantages in convergence accuracy and diversity of solutions, which were quantified by the performance metrics (generational distance (GD), inverted generational distance (IGD), Spacing (SP), and Hypervolume (HV)). Furthermore, a multi-objective optimization process coupled with the IMOGWO algorithm and Computational Fluid Dynamics (CFD) was proposed. By optimizing the design parameters of an axial cooling fan, a set of non-dominated solutions was obtained within limited iteration steps. Consequently, the IMOGWO also presented an effective and practical approach for addressing multi-objective optimization challenges with respect to engineering problems. Full article
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12 pages, 4096 KiB  
Article
Chiral Pseudo-D6h Dy(III) Single-Molecule Magnet Based on a Hexaaza Macrocycle
by Jia-Hui Liu, Yi-Shu Jin, Jinkui Tang, Cai-Ming Liu, Yi-Quan Zhang and Hui-Zhong Kou
Molecules 2025, 30(9), 2043; https://doi.org/10.3390/molecules30092043 - 3 May 2025
Viewed by 533
Abstract
A mononuclear complex [Dy(phenN6)(HL′)2]PF6·CH2Cl2 (H2L′ = R/S-1,1′-binaphthyl-2,2′-diphenol) with local D6h symmetry was synthesized. Structural determination shows that Dy3+ was encapsulated within the coordination cavity of the neutral [...] Read more.
A mononuclear complex [Dy(phenN6)(HL′)2]PF6·CH2Cl2 (H2L′ = R/S-1,1′-binaphthyl-2,2′-diphenol) with local D6h symmetry was synthesized. Structural determination shows that Dy3+ was encapsulated within the coordination cavity of the neutral hexaaza macrocyclic ligand phenN6, forming a non-planar coordination environment. The axial positions are occupied by two phenoxy groups of binaphthol in the trans form. The local geometry of Dy3+ closely resembles a regular hexagonal bipyramid D6h configuration. The axial Dy-Ophenoxy distances are 2.189(5) and 2.145(5) Å, respectively, while the Dy-N bond lengths in the equatorial plane are in the range of 2.524(7)–2.717(5) Å. The axial Ophthalmoxy-Dy-Ophthalmoxy bond angle is 162.91(17)°, which deviates from the ideal linearity. Under the excitation at 320 nm, the complex exhibits a characteristic emission peak at 360 nm, corresponding to the naphthalene ring. The AC susceptibility measurements under an applied DC field of 1800 Oe show distinct temperature-dependent and frequency-dependent AC magnetic susceptibility, typical of single-molecule magnetic behavior. The Cole–Cole plot in the temperature range of 6.0–28.0 K was fitted using a model incorporating Orbach and Raman relaxation mechanisms, giving an effective energy barrier of Ueff = 300.2 K. Theoretical calculations on complex 1 reveal that the magnetization relaxation proceeds through the first excited Kramers doublets with a calculated magnetization blocking barrier of 404.1 cm−1 (581.4 K). Full article
(This article belongs to the Special Issue Inorganic Chemistry in Asia)
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12 pages, 1221 KiB  
Review
Azurin: A Model to Study a Metal Coordination Sphere or Electron Transfer in Metalloproteins
by Roman Tuzhilkin, Vladimír Ondruška and Miroslav Šulc
Int. J. Mol. Sci. 2025, 26(9), 4125; https://doi.org/10.3390/ijms26094125 - 26 Apr 2025
Viewed by 818
Abstract
Azurin is a small blue copper protein that participates in redox reactions during anaerobic respiration in Pseudomonas aeruginosa, and there are a significant number of studies employing this model to investigate the electron transfer (ET) processes or coordination sphere of metal ion [...] Read more.
Azurin is a small blue copper protein that participates in redox reactions during anaerobic respiration in Pseudomonas aeruginosa, and there are a significant number of studies employing this model to investigate the electron transfer (ET) processes or coordination sphere of metal ion in metalloproteins. Azurin naturally contains Cu(II/I) as a central ion and is redox-active for a single electron ET. Moreover, azurin with no central ion (apo-azurin) is capable of binding other metal cofactors—e.g., Zn(II)—forming redox-inactive Zn-form and many others impacting the redox potential and structural variation in the active site’s arrangement. Also, mutations of amino acid residues in the immediate vicinity of the metal ion can influence the structure and functionality of a particular metalloprotein. Therefore, this review aims to summarize the abundant information about selected topics related to redox reactions and blue copper proteins, particularly azurin, and is structured as follows: (i) introduction to the structure, properties, and physiological role of this group of metalloproteins, (ii) the role of the equatorial and axial ligands of the central metal ions, or metal species, in the active site on the metal coordination sphere’s structure and related determination of the particular azurin form’s redox potentials, and (iii) the effects of the particular amino acid’s moiety (Phe, Tyr and Trp residues together with acceleration employing Trp-Trp π-π stacking interactions contrary to ET distance dependence) on the preferable type of long-range ET mechanism in an azurin-mediated model biomolecule. We assume that azurin is a suitable model to study the structural functionality of a particular central metal ion or individual amino acid residues in the central ion coordination sphere for studying the redox potential and ET reactions in metalloproteins. Full article
(This article belongs to the Special Issue Metalloproteins: How Metals Shape Protein Structure and Function)
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34 pages, 397 KiB  
Article
Hilbert Bundles and Holographic Space–Time Models
by Tom Banks
Astronomy 2025, 4(2), 7; https://doi.org/10.3390/astronomy4020007 - 22 Apr 2025
Viewed by 699
Abstract
We reformulate holographic space–time models in terms of Hilbert bundles over the space of the time-like geodesics in a Lorentzian manifold. This reformulation resolves the issue of the action of non-compact isometry groups on finite-dimensional Hilbert spaces. Following Jacobson, I view the background [...] Read more.
We reformulate holographic space–time models in terms of Hilbert bundles over the space of the time-like geodesics in a Lorentzian manifold. This reformulation resolves the issue of the action of non-compact isometry groups on finite-dimensional Hilbert spaces. Following Jacobson, I view the background geometry as a hydrodynamic flow, whose connection to an underlying quantum system follows from the Bekenstein–Hawking relation between area and entropy, generalized to arbitrary causal diamonds. The time-like geodesics are equivalent to the nested sequences of causal diamonds, and the area of the holoscreen (The holoscreen is the maximal d2 volume (“area”) leaf of a null foliation of the diamond boundary. I use the term area to refer to its volume.) encodes the entropy of a certain density matrix on a finite-dimensional Hilbert space. I review arguments that the modular Hamiltonian of a diamond is a cutoff version of the Virasoro generator L0 of a 1+1-dimensional CFT of a large central charge, living on an interval in the longitudinal coordinate on the diamond boundary. The cutoff is chosen so that the von Neumann entropy is lnD, up to subleading corrections, in the limit of a large-dimension diamond Hilbert space. I also connect those arguments to the derivation of the ’t Hooft commutation relations for horizon fluctuations. I present a tentative connection between the ’t Hooft relations and U(1) currents in the CFTs on the past and future diamond boundaries. The ’t Hooft relations are related to the Schwinger term in the commutator of the vector and axial currents. The paper in can be read as evidence that the near-horizon dynamics for causal diamonds much larger than the Planck scale is equivalent to a topological field theory of the ’t Hooft CR plus small fluctuations in the transverse geometry. Connes’ demonstration that the Riemannian geometry is encoded in the Dirac operator leads one to a completely finite theory of transverse geometry fluctuations, in which the variables are fermionic generators of a superalgebra, which are the expansion coefficients of the sections of the spinor bundle in Dirac eigenfunctions. A finite cutoff on the Dirac spectrum gives rise to the area law for entropy and makes the geometry both “fuzzy” and quantum. Following the analysis of Carlip and Solodukhin, I model the expansion coefficients as two-dimensional fermionic fields. I argue that the local excitations in the interior of a diamond are constrained states where the spinor variables vanish in the regions of small area on the holoscreen. This leads to an argument that the quantum gravity in asymptotically flat space must be exactly supersymmetric. Full article
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