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23 pages, 10625 KB  
Article
A High-Precision, All-Rectangle-Based Method Linearly Concave Hydropower Output in Long-Term Reservoir Operation
by Hao Zheng, Yan Huang, Yongqiang Wang, Feixiang Hou, Yong Xu, Cheng Chen, Suzhen Feng and Jinwen Wang
Energies 2025, 18(19), 5102; https://doi.org/10.3390/en18195102 - 25 Sep 2025
Viewed by 360
Abstract
The nonlinearity and non-convexity of the hydropower output function (HOF) make it very challenging to search for the optimal solution to the hydropower scheduling problem, which, however, can be more easily solved with consistency by mathematical programming if the HOF can be properly [...] Read more.
The nonlinearity and non-convexity of the hydropower output function (HOF) make it very challenging to search for the optimal solution to the hydropower scheduling problem, which, however, can be more easily solved with consistency by mathematical programming if the HOF can be properly linearized with high accuracy. In this paper, a detailed review of different linear concaving approximation methods to model the HOF is presented, and a high-precision, all-rectangle linear concaving approximation method is proposed. It avoids the drawback of existing rectangular grid linear approximation methods which introduce a large number of integer variables and reduce solution efficiency by avoiding the accurate expression of fitting error at the corner points. It is mathematically proved that the method based on this rectangular subdivision can converge to any concave function with arbitrary precision as the grid resolution increases. The approximated results of the output functions of the four cascaded hydropower plants in the Lancang River show that both the proposed method and the existing method can reduce the average fitting error from 2.16% of installed capacity to 1.49% compared to the high-efficiency method. Although the proposed method is slower in solving speed than the high-efficiency method, it is significantly better than the unstable existing method. Full article
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22 pages, 4448 KB  
Article
PLEKHM1 Overexpression Impairs Autophagy and Exacerbates Neurodegeneration in rAAV-α-Synuclein Mice
by Lennart Höfs, David Geißler-Lösch and Björn H. Falkenburger
Cells 2025, 14(17), 1340; https://doi.org/10.3390/cells14171340 - 29 Aug 2025
Viewed by 981
Abstract
The aggregation of α-synuclein (αSyn) is a central feature of Parkinson’s disease (PD) and other synucleinopathies. The efficient clearance of αSyn depends largely on the autophagy–lysosomal pathway. Emerging genetic evidence highlights the role of pleckstrin homology and RUN domain-containing M1 protein (PLEKHM1), a [...] Read more.
The aggregation of α-synuclein (αSyn) is a central feature of Parkinson’s disease (PD) and other synucleinopathies. The efficient clearance of αSyn depends largely on the autophagy–lysosomal pathway. Emerging genetic evidence highlights the role of pleckstrin homology and RUN domain-containing M1 protein (PLEKHM1), a critical regulator of autophagosome–lysosome fusion, in the pathogenesis of multiple neurodegenerative diseases. This study investigates the possible effects of increased PLEKHM1 expression on αSyn pathology and neurodegeneration in mice. We utilized a mouse model of PD that is based on A53T-αSyn overexpression, achieved by the stereotactic injection of recombinant adeno-associated viral vectors (rAAV) into the substantia nigra. Additionally, this study explores the effect of PLEKHM1 overexpression on the autophagy–lysosomal pathway under physiological conditions, using transgenic autophagy reporter mice. PLEKHM1 overexpression facilitated the αSyn-induced degeneration of dopaminergic somata in the substantia nigra and degeneration of dopaminergic axon terminals in the striatum. In concert with αSyn expression, PLEKHM1 also potentiated microglial activation. The extent of αSyn pathology, as reported by staining for phosphorylated αSyn, was not affected by PLEKHM1. Using RFP-EGFP-LC3 autophagy reporter mice, rAAV-mediated PLEKHM1 overexpression reduced lysosomal and autolysosomal area, increased LAMP1-LC3 colocalization, and decreased the autolysosome-to-autophagosome ratio. Concurrently, PLEKHM1 overexpression in both genotypes caused p62 accumulation, accompanied by reduced overlap with lysosomal and autophagosomal markers but increased colocalization with autolysosomal markers, indicating impaired cargo degradation during late-stage autophagy. Taken together, elevated PLEKHM1 levels exacerbate neurodegeneration in αSyn-overexpressing mice, possibly by impairing autophagic flux. Now, with in vivo evidence complementing genetic data, alterations in PLEKHM1 expression appear to compromise autophagy, potentially enhancing neuronal vulnerability to secondary insults like αSyn pathology. Full article
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16 pages, 4846 KB  
Article
A Neodymium(III)-Based Hydrogen-Bonded Bilayer Framework with Dual Functions: Selective Ion Sensing and High Proton Conduction
by Jie Liu, Xin-Yu Guo, Wen-Duo Zhu, Nan Zheng and Jiu-Fu Lu
Molecules 2025, 30(17), 3455; https://doi.org/10.3390/molecules30173455 - 22 Aug 2025
Viewed by 695
Abstract
Lanthanide hydrogen-bonded organic frameworks (Ln-HOFs) integrating luminescent and proton-conductive properties hold significant promise for multifunctional sensing and energy applications, yet their development remains challenging due to the difficulty of balancing structural stability and functional diversity. In this context, this study successfully synthesized a [...] Read more.
Lanthanide hydrogen-bonded organic frameworks (Ln-HOFs) integrating luminescent and proton-conductive properties hold significant promise for multifunctional sensing and energy applications, yet their development remains challenging due to the difficulty of balancing structural stability and functional diversity. In this context, this study successfully synthesized a novel neodymium(III)-based hydrogen-bonded framework material, formulated as {Nd(H2O)3(4-CPCA)[H(4-CPCA)]∙H2O}ₙ (SNUT-15), via hydrothermal assembly using 1-(4-carboxyphenyl)-4-oxo-1,4-dihydropyridazine-3-carboxylic acid (H2(4-CPCA)) as the ligand. Single-crystal X-ray diffraction analysis revealed a rare two-dimensional hydrogen-bonded bilayer structure stabilized by π-π stacking interactions and intermolecular hydrogen bonds. Hirshfeld surface analysis further corroborated the structural characteristics of this material. Moreover, leveraging the superior luminescent properties of lanthanide elements, this crystalline material exhibits dual functionality: selective fluorescence quenching toward Fe3+, La3+, and Mn2+ (with detection limits of 1.74 × 10−4, 1.88 × 10−4, and 3.57 × 10−4 mol·L−1, respectively), as well as excellent proton conductivity reaching 7.92 × 10−3 S cm−1 under conditions of 98% relative humidity and 353 K (80 °C). As a multifunctional neodymium(III)-based HOF material, SNUT-15 demonstrates its potential for applications in environmental monitoring and solid-state electrolytes, providing valuable insights into the rational design of lanthanide-containing frameworks. Full article
(This article belongs to the Section Molecular Structure)
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15 pages, 12462 KB  
Article
Identification and Pathogenicity Analysis of Huaxiibacter chinensis Qf-1 in Mink (Neogale vison)
by Yao Chen, Haotian Cai, Xiaoyang Wu, Xibao Wang, Yongquan Shang, Qinguo Wei, Weilai Sha, Yan Qi, Shuli Liu and Honghai Zhang
Microorganisms 2025, 13(7), 1604; https://doi.org/10.3390/microorganisms13071604 - 8 Jul 2025
Cited by 1 | Viewed by 677
Abstract
Mink (Neogale vison) is a commercially farmed animal of global importance. However, disease outbreaks during farming not only cause significant economic losses but also substantially increase the risk of zoonotic infections. The identification and characterization of pathogenic bacteria remain a major [...] Read more.
Mink (Neogale vison) is a commercially farmed animal of global importance. However, disease outbreaks during farming not only cause significant economic losses but also substantially increase the risk of zoonotic infections. The identification and characterization of pathogenic bacteria remain a major bottleneck restricting the development of healthy and sustainable mink farming. In this study, an LB medium was used to isolate a pale-white, rod-shaped, Gram-negative bacterial strain, Qf-1, from minks with pneumonia. Based on morphological characteristics, biochemical properties, 16S rRNA gene sequencing, and average nucleotide identity (ANI) analysis, strain Qf-1 was identified as Huaxiibacter chinensis Qf-1. Under laboratory conditions, H. chinensis Qf-1 induced typical pneumonia symptoms in Kunming mice. Furthermore, whole-genome sequencing of H. chinensis Qf-1 revealed its genome to be 4.77 Mb and to contain a single chromosome and one plasmid. The main virulence genes of H. chinensis Qf-1 were primarily associated with flgB, flgC, flgG, aceA, hemL, tssC1, csgD, hofB, ppdD, hcpA, and vgrGA, functioning in motility, biofilm formation, colonization ability, and secretion systems. Our findings contribute to a better understanding of their pathogenic mechanisms, thereby laying a theoretical foundation for further investigation into the complex interactions between gut microbiota and the host. Full article
(This article belongs to the Special Issue One Health Research on Infectious Diseases)
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21 pages, 1329 KB  
Article
DDPG-Based UAV-RIS Framework for Optimizing Mobility in Future Wireless Communication Networks
by Yasir Ullah, Idris Olalekan Adeoye, Mardeni Roslee, Mohd Azmi Ismail, Farman Ali, Shabeer Ahmad, Anwar Faizd Osman and Fatimah Zaharah Ali
Drones 2025, 9(6), 437; https://doi.org/10.3390/drones9060437 - 15 Jun 2025
Cited by 3 | Viewed by 1378
Abstract
The development of beyond 5G (B5G) future wireless communication networks (FWCN) needs novel solutions to support high-speed, reliable, and low-latency communication. Unmanned aerial vehicles (UAVs) and reconfigurable intelligent surfaces (RISs) are promising techniques that can enhance wireless connectivity in urban environments where tall [...] Read more.
The development of beyond 5G (B5G) future wireless communication networks (FWCN) needs novel solutions to support high-speed, reliable, and low-latency communication. Unmanned aerial vehicles (UAVs) and reconfigurable intelligent surfaces (RISs) are promising techniques that can enhance wireless connectivity in urban environments where tall buildings block line-of-sight (LoS) links. However, existing UAV-assisted communication strategies do not fully address key challenges like mobility management, handover failures (HOFs), and path disorders in dense urban environments. This paper introduces a deep deterministic policy gradient (DDPG)-based UAV-RIS framework to overcome these limitations. The proposed framework jointly optimizes UAV trajectories and RIS phase shifts to improve throughput, energy efficiency (EE), and LoS probability while reducing outage probability (OP) and HOF. A modified K-means clustering algorithm is used to efficiently partition the ground users (GUs) considering the newly added GUs as well. The DDPG algorithm, based on reinforcement learning (RL), adapts UAV positioning and RIS configurations in a continuous action space. Simulation results show that the proposed approach significantly reduces HOF and OP, increases EE, enhances network throughput, and improves LoS probability compared to UAV-only, RIS-only, and without UAV-RIS deployments. Additionally, by dynamically adjusting UAV locations and RIS phase shifts based on GU mobility patterns, the framework further enhances connectivity and reliability. The findings highlight its potential to transform urban wireless communication by mitigating LoS blockages and ensuring uninterrupted connectivity in dense environments. Full article
(This article belongs to the Special Issue UAV-Assisted Mobile Wireless Networks and Applications)
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14 pages, 723 KB  
Article
Association Between the History of Fall and the Fear of Falling on Stair Descent and Gait Transition Spatiotemporal Parameters and Lower-Limb Kinematics in Older Adults
by Ivone Teles, Juliana Moreira and Andreia S. P. Sousa
Appl. Sci. 2025, 15(12), 6689; https://doi.org/10.3390/app15126689 - 14 Jun 2025
Cited by 1 | Viewed by 856
Abstract
Background: Among older adults, there is a high incidence of history of fall (HoF), fear of falling (FoF), and falls on stair descent during gait transitions. Purpose: We aim to evaluate the association between HoF and FoF on spatiotemporal and lower-limb kinematic parameters [...] Read more.
Background: Among older adults, there is a high incidence of history of fall (HoF), fear of falling (FoF), and falls on stair descent during gait transitions. Purpose: We aim to evaluate the association between HoF and FoF on spatiotemporal and lower-limb kinematic parameters in older adults during stair descents and gait transitions. Methods: Sixty older adults (>60 years) were evaluated through an optoelectrical motion capture system during stair descents and gait transitions, using the mean value of the task velocity and time; single- and double-support time; peak downward center of mass (CoM) velocity; hip, knee, and ankle positions of ipsi and the contralateral limb; and foot clearance and foot placement, assessed through multivariate analysis of variance. Results: FOF exhibited longer time to complete (p = 0.009) and double-support (p = 0.047) and single-support (p = 0.009) times and a reduced peak downward CoM velocity (p = 0.043). In the gait transition cycle, HOF exhibited reduced ipsi ankle angles at toe-off (p = 0.015), and FOF presented reduced ipsi ankle angles at heel-strike (p = 0.041) and toe-off (p = 0.026) and reduced contralateral ankle angles at toe-off (p = 0.022). Conclusion: Older adults with HoF and FoF exhibit biomechanical changes during stair descents and gait transitions, in line with the use of more conservative strategies to avoid falling. Full article
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30 pages, 6077 KB  
Article
Testing Agronomic Treatments to Improve the Establishment of Novel Miscanthus Hybrids on Marginal Land
by Eva Lewin, John Clifton-Brown, Elaine Jensen, Iris Lewandowski, Jacek Krzyżak, Marta Pogrzeba, Jens Hartung, Cedric Wolfmüller and Andreas Kiesel
Agronomy 2025, 15(6), 1297; https://doi.org/10.3390/agronomy15061297 - 26 May 2025
Cited by 1 | Viewed by 927
Abstract
Miscanthus is considered a promising candidate for the cultivation of marginal land. This land poses unique challenges, and experiments have shown that the “establishment phase” is of paramount importance to the long-term yield performance of miscanthus. This experiment analyzes novel miscanthus hybrids and [...] Read more.
Miscanthus is considered a promising candidate for the cultivation of marginal land. This land poses unique challenges, and experiments have shown that the “establishment phase” is of paramount importance to the long-term yield performance of miscanthus. This experiment analyzes novel miscanthus hybrids and how their establishment on marginal land can be improved through agronomic interventions. Experiments took place at two sites in Germany: at Ihinger Hof, with a very shallow soil profile and high stone content, and at Reichwalde, where the soil was repurposed river sediment with low organic matter, high stone content, and a compacted lower horizon. These marginal conditions functioned as test cases for the improvement of miscanthus establishment agronomy. Four hybrids (Miscanthus x giganteus, Gnt10, Gnt43, and Syn55) and agronomic treatments such as plastic mulch film, miscanthus mulch, inoculation with mycorrhizal fungi, and fertilization were tested in two years at both sites in 2021 and 2022. Specific weather conditions and the timing of planting were strong determinants of establishment success and no single treatment combination was found that consistently increased the establishment success. Plastic mulch films were found to hinder rather than help establishment in both these locations. Chipped miscanthus mulch caused nitrogen immobilization and stunted plant growth. At Ihinger Hof the novel seed-based miscanthus hybrid Gnt43 produced twice the biomass of other hybrids (7 t ha−1) in the first growing season. Gnt10 yielded well in 2021 and showed impressive tolerance to water stress in the summer of 2022. No treatment combination was found that consistently increased the establishment success of miscanthus hybrids across sites and years. Novel genotypes consistently outperformed the standard commercial miscanthus hybrid Miscanthus x giganteus. Gnt10 may be a promising candidate for the cultivation of water-stress-prone marginal lands, due to its isohydric behavior and high yield potential. Full article
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18 pages, 1444 KB  
Article
Association Between Gait Lower Limb Intra and Interlimb Coordination and Fear of Falling and Falling History in Older Adults
by Márcia Castro, Juliana Moreira and Andreia S. P. Sousa
Symmetry 2025, 17(6), 818; https://doi.org/10.3390/sym17060818 - 24 May 2025
Viewed by 1017
Abstract
Aging often leads to a decline in intersegmental coordination, particularly in the lower limbs, which can negatively impact gait stability and symmetry. While fear of falling (FoF) and a history of falls (HoF) increase fall risk in older adults, their relationship with intra- [...] Read more.
Aging often leads to a decline in intersegmental coordination, particularly in the lower limbs, which can negatively impact gait stability and symmetry. While fear of falling (FoF) and a history of falls (HoF) increase fall risk in older adults, their relationship with intra- and intersegmental coordination during gait remains understudied. This cross-sectional observational study involved 60 participants aged 60 and older. The three-dimensional range of motion of lower limb joints during gait was assessed using an optoelectronic system. Intra- and intersegmental coordination were evaluated via the Continuous Relative Phase (CRP) variable, including its mean, standard deviation, and coefficient of variation. The results showed that the HoF and FoF groups had higher mean CRP values in the left hip-knee (HOF, p = 0.004) and hip-ankle (FOF, p = 0.030) in the sagittal plane, as well as higher standard deviation values in the left knee-ankle (HOF, p = 0.006) and right hip-ankle (HOF, p = 0.004). Inter-segmental coordination differences were also observed, with higher mean CRP values between the knee joints in the sagittal plane (HOF, p = 0.046) and lower mean and standard deviation values between the ankle joints (FOF, p = 0.048 and p = 0.038, respectively). This study concludes that fear of falling and history of falling are significantly associated with altered intra- and intersegmental coordination in older adults, which may contribute to fall risk. Understanding these altered coordination patterns is crucial, as it underscores the therapeutic significance of targeting these changes, which could lead to interventions aimed at improving gait stability and reducing fall risk in elderly individuals. Full article
(This article belongs to the Section Life Sciences)
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26 pages, 4299 KB  
Article
Illuminating the Impact of a Floating Photovoltaic System on a Shallow Drinking Water Reservoir: The Emergence of Benthic Cyanobacteria
by Giovanni Sandrini, Arco Wagenvoort, Roland van Asperen, Bas Hofs, Dirk Mathijssen and Albert van der Wal
Water 2025, 17(8), 1178; https://doi.org/10.3390/w17081178 - 15 Apr 2025
Cited by 3 | Viewed by 2336
Abstract
Floating photovoltaic (FPV) systems can play an important role in energy transition. Yet, so far, not much is known about the effects of FPV systems on water quality and ecology. A sun-tracking FPV system (24% coverage) was installed on a shallow drinking water [...] Read more.
Floating photovoltaic (FPV) systems can play an important role in energy transition. Yet, so far, not much is known about the effects of FPV systems on water quality and ecology. A sun-tracking FPV system (24% coverage) was installed on a shallow drinking water reservoir. We observed for the first time that benthic cyanobacteria (blue-green algae), which can deteriorate water quality, developed massively under the FPV system, while macrophytes and benthic algae, such as Chara (stonewort), mostly disappeared. Calculations of light availability explain this shift. The natural mixing of the water column was hardly affected, and the average temperature of the reservoir was not altered significantly. Biofouling of the water-submerged part of the FPV system consisted mostly of a massive attachment of Dreissena mussels, which affected water quality. Water bird numbers and concentrations of faecal bacteria were similar after the installation of the FPV system. Especially in shallow, transparent water bodies, there is a significant risk of FPV systems promoting the growth of undesirable benthic cyanobacteria. Overall, these new insights can aid water managers and governmental institutions in assessing the risks of FPV systems on water quality and the ecology of inland waters. Full article
(This article belongs to the Section Water Quality and Contamination)
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20 pages, 1222 KB  
Article
SPARC: A Human-in-the-Loop Framework for Learning and Explaining Spatial Concepts
by Brendan Young, Derek T. Anderson, James Keller, Frederick Petry and Chris J. Michael
Information 2025, 16(4), 252; https://doi.org/10.3390/info16040252 - 21 Mar 2025
Cited by 1 | Viewed by 1053
Abstract
In this article, we introduce a novel framework for learning spatial concepts within a human-in-the-loop (HITL) context, highlighting the critical role of explainability in AI systems. By incorporating human feedback, the approach enhances the learning process, making it particularly suitable for applications where [...] Read more.
In this article, we introduce a novel framework for learning spatial concepts within a human-in-the-loop (HITL) context, highlighting the critical role of explainability in AI systems. By incorporating human feedback, the approach enhances the learning process, making it particularly suitable for applications where user trust and interpretability are essential, such as AiTR. Namely, we introduce a new parametric similarity measure for spatial relations expressed as histograms of forces (HoFs). Next, a spatial concept is represented as a spatially attributed graph and HoF bundles. Last, a process is outlined for utilizing this structure to make decisions and learn from human feedback. The framework’s robustness is demonstrated through examples with diverse user types, showcasing how varying feedback strategies influence learning efficiency, accuracy, and ability to tailor the system to a particular user. Overall, this framework represents a promising step toward human-centered AI systems capable of understanding complex spatial relationships while offering transparent insights into their reasoning processes. Full article
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36 pages, 10506 KB  
Review
HOF•CH3CN—The Most Potent Oxygen Transfer Agent for a Large Variety of Organic Molecules
by Shlomo Rozen
Molecules 2025, 30(6), 1248; https://doi.org/10.3390/molecules30061248 - 11 Mar 2025
Viewed by 2091
Abstract
The complex of hypofluorous acid with acetonitrile—HOF•CH3CN—is the only substance possessing a truly electrophilic oxygen. This fact makes it the only tool suitable for transferring oxygen atoms to sites that are not accessible to this vital element. We will review here [...] Read more.
The complex of hypofluorous acid with acetonitrile—HOF•CH3CN—is the only substance possessing a truly electrophilic oxygen. This fact makes it the only tool suitable for transferring oxygen atoms to sites that are not accessible to this vital element. We will review here most of the known organic reactions with this complex, which is easily made by bubbling dilute fluorine through aqueous acetonitrile. The reactions of HOF•CH3CN with double bonds produce epoxides in a matter of minutes at room temperature, even when the olefin is electron-depleted and cannot be epoxidized by any other means. The electrophilic oxygen can also substitute deactivated tertiary C-H bonds via electrophilic substitution, proceeding with full retention of configuration. Using this complex enables transferring oxygen atoms to a carbonyl and oxidizing alcohols and ethers to ketones. The latter could be oxidized to esters via the Baeyer–Villiger reaction, proving once again the validity of the original Baeyer mechanism. Azines are usually avoided as protecting groups for carbonyl since their removal is problematic. HOF•CH3CN solves this problem, as it is very effective in recreating carbonyls from the respective azines. A bonus of the last reaction is the ability to replace the common 16O isotope of the carbonyl with the heavier 17O or 18O in the simplest and cheapest possible way. The reagent can transfer oxygen to most nitrogen-containing molecules. Thus, it turns practically any azide or amine into nitro compounds, including amino acids. This helps to produce novel α-alkylamino acids. It also attaches oxygen atoms to most tertiary nitrogen atoms, including certain aromatic ones, which could not be obtained before. HOF•CH3CN was also used to make five-member cyclic poly-NO derivatives, many of them intended to be highly energetic materials. The nucleophilic sulfur atom also reacts very smoothly with the reagent in a wide range of compounds to form sulfone derivatives. While common sulfides are easily converted to sulfones by many orthodox reagents, electron-depleted ones, such as Rf-S-Ar, can be oxidized to Rf-SO2-Ar only with this reagent. The mild reaction conditions also make it possible to synthesize a whole range of novel episulfones and offer, as a bonus, a very easy way to make SxO2, x being any isotope variation of oxygen. These mild conditions also helped to oxidize thiophene to thiophen-S,S-dioxide without the Diels–Alder dimerizations, which usually follow such dioxide formation. The latter reaction was a prelude to a series of preparations of [all]-S,S-dioxo-oligothiophenes, which are important for the efficient preparation of active layers in field-effect transistors (FETs), as such oligomers are considered to be important for organic semiconductors for light-emitting diodes (LEDs). Several types of these oligothiophenes were prepared, including partly or fully oxygenated ones, star-oligothiophenes, and fused ones. Several [all]-S,S-dioxo-oligo-thienylenevinylenes were also successfully prepared despite the fact that they also possess carbon–carbon p centers in their molecules. All oxygenated derivatives have been prepared for the first time and have lower HOMO-LUMO gaps compared to their parent compounds. HOF•CH3CN was also used to oxidize the surface of the nanoparticles of oligothiophenes, leaving the core of the nanoparticle unchanged. Several highly interesting features have been detected, including their ability to photostimulate the retinal neurons, especially the inner retinal ones. HOF•CH3CN was also used on elements other than carbon, such as selenium and phosphor. Various selenides were oxidized to the respective selenodioxide derivatives (not a trivial task), while various phosphines were converted efficiently to the corresponding phosphine oxides. Full article
(This article belongs to the Special Issue Featured Reviews in Organic Chemistry 2025)
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28 pages, 1423 KB  
Article
Directional Handover Analysis with Stochastic Petri Net and Poisson Point Process in Heterogeneous Networks
by Zhiyi Zhu, Junjun Zheng, Eiji Takimoto, Patrick Finnerty and Chikara Ohta
Mathematics 2025, 13(3), 349; https://doi.org/10.3390/math13030349 - 22 Jan 2025
Viewed by 1221
Abstract
Handover is crucial for ensuring seamless connectivity in heterogeneous networks (HetNet) by enabling user equipment (UE) to switch its connection link between cells based on signal conditions. However, conventional analytical approaches ignored the distinctions between macro-cell to small-cell (M2S) and small-cell to macro-cell [...] Read more.
Handover is crucial for ensuring seamless connectivity in heterogeneous networks (HetNet) by enabling user equipment (UE) to switch its connection link between cells based on signal conditions. However, conventional analytical approaches ignored the distinctions between macro-cell to small-cell (M2S) and small-cell to macro-cell (S2M) scenarios during a handover decision-making process, which resulted in handover failures (HoF) or ping-pong handovers. Therefore, this paper proposes a novel framework, Do-SPN-PPP, that combines stochastic Petri net (SPN) and the Poisson point process (PPP) to quantitatively analyze M2S and S2M handover performance differences. The proposed framework also reveals and predicts how handover parameters affect UE residence time in a cell within the HetNet, and it exhibits a higher predictive accuracy compared with the traditional conventional analytical approach. In addition, the Monte Carlo simulation verified the Do-SPN-PPP framework, and the proposed framework exhibits a 96% reduction in computation time while maintaining a 95% confidence interval and 0.5% error tolerance compared with the simulation. Full article
(This article belongs to the Special Issue Mathematics in Advanced Reliability and Maintenance Modeling)
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21 pages, 49290 KB  
Article
New Steroid–Alkaloid Bioconjugates as Potential Bioactive Compounds: Synthesis, Spectroscopic and In Silico Study
by Hanna Koenig, Karolina Babijczuk, Kamil Ostrowski, Damian Nowak, Tomasz Pospieszny and Beata Jasiewicz
Appl. Sci. 2025, 15(2), 591; https://doi.org/10.3390/app15020591 - 9 Jan 2025
Viewed by 1313
Abstract
The search for new biologically active compounds with prospective pharmaceutical applications has motivated the investigation of alternative synthesis pathways. One such approach involves the development of compounds with established biological activity as lead compounds. The focus on compounds of natural origin is gaining [...] Read more.
The search for new biologically active compounds with prospective pharmaceutical applications has motivated the investigation of alternative synthesis pathways. One such approach involves the development of compounds with established biological activity as lead compounds. The focus on compounds of natural origin is gaining prominence, with steroids and alkaloids representing notable examples. Our research aimed to synthesize novel steroid–alkaloid bioconjugates with potential biological activity. The structure of all new compounds was determined using spectroscopic methods. The final heats of formation (HOF) for all bioconjugates were also calculated. In silico methods demonstrated that most obtained compounds, especially caffeine derivatives, exhibited potential biological activity. These compounds act as cholesterol antagonists, analeptics, antihypercholesterolemic, and respiratory analeptic compounds. The molecular docking results for the 1HWK and 6RZ4 protein domains indicate that the selected bioconjugates exhibit affinities comparable to or lower than those of atorvastatin (−9.6 kcal/mol), the reference ligand in cholesterol-lowering. Conversely, the affinities of the selected bioconjugates are higher than those of caffeine (−6.2 kcal/mol), which is used as the reference ligand for analeptic drugs. Full article
(This article belongs to the Special Issue Research on Organic and Medicinal Chemistry)
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28 pages, 7839 KB  
Review
Progress in Continuous Flow Synthesis of Hydrogen-Bonded Organic Framework Material Synthons
by Xingjun Yao, Sanmiao Wen, Ningning Ji, Qiulin Deng, Zhiliang Li, Hongbing Wang and Qianqian Shang
Molecules 2025, 30(1), 41; https://doi.org/10.3390/molecules30010041 - 26 Dec 2024
Cited by 2 | Viewed by 3545
Abstract
Hydrogen-bonded organic framework (HOF) materials are typically formed by the self-assembly of small organic units (synthons) with specific functional groups through hydrogen bonding or other interactions. HOF is commonly used as an electrolyte for batteries. Well-designed HOF materials can enhance the proton exchange [...] Read more.
Hydrogen-bonded organic framework (HOF) materials are typically formed by the self-assembly of small organic units (synthons) with specific functional groups through hydrogen bonding or other interactions. HOF is commonly used as an electrolyte for batteries. Well-designed HOF materials can enhance the proton exchange rate, thereby boosting battery performance. This paper reviews recent advancements in the continuous synthesis of HOF synthons, in the continuous synthesis of HOF’s unit small molecules enabling the multi-step, rapid, and in situ synthesis of synthons, such as carboxylic acid, diaminotriazine (DAT), urea, guanidine, imidazole, pyrazole, pyridine, thiazole, triazole, and tetrazole, with online monitoring. Continuous flow reactors facilitate fast chemical reactions and precise microfluidic control, offering superior reaction speed, product yield, and selectivity compared to batch processes. Integrating the continuous synthesis of synthons with the construction of HOF materials on a single platform is essential for achieving low-cost, safe, and efficient processing, especially for reactions involving toxic, flammable, or explosive substances. Full article
(This article belongs to the Section Materials Chemistry)
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16 pages, 3212 KB  
Article
Synthesis, Characterization and Structural Study of the Two Ionic Hydrogen-Bonded Organic Frameworks Based on Sterically Crowded Bifunctional Moieties
by Kira E. Vostrikova, Vladimir P. Kirin and Denis G. Samsonenko
Chemistry 2024, 6(5), 1271-1286; https://doi.org/10.3390/chemistry6050073 - 16 Oct 2024
Viewed by 1642
Abstract
Small bifunctional molecules are attractive for use as models in different areas of knowledge. How can their functional groups interact in solids? This is important to know for the prediction of the physical and chemical properties of the materials based on them. In [...] Read more.
Small bifunctional molecules are attractive for use as models in different areas of knowledge. How can their functional groups interact in solids? This is important to know for the prediction of the physical and chemical properties of the materials based on them. In this study, two new hydrogen-bonded organic frameworks (HOFs) based on sterically demanding molecular compounds, bis(1-hydroxy-2-methylpropane-2-aminium) sulfate (1) and 2-methyl-4-oxopentan-2-aminium hydrogen ethanedioate hydrate (2), were synthesized and fully characterized by means of FTIR and NMR spectroscopies, as well as by X-ray powder diffraction and thermogravimetric analyses. Their molecular and crystal structures were established through single-crystal X-ray diffraction analysis. It was shown that both compounds have a layered structure due to the formation of a 2D hydrogen-bonding network, the layers being linked by systematically arranged Van der Waals contacts between the methyl groups of organic cations. To unveil some dependencies between the chemical nature of bifunctional molecules and their solid structure, Hirschfeld surface (HS) analysis was carried out for HOFs 1, 2, and their known congeners 1-hydroxy-2-methylpropan-2-aminium hemicarbonate (3) and 1-hydroxy-2-methylpropan-2-aminium (1-hydroxy-2-methylpropan-2-yl) carbamate (4). HS was performed to quantify and visualize the close intermolecular atomic contacts in the crystal structures. It is clearly seen that H–H contacts make the highest contributions to the amino alcohol based compounds 1, 3 and 4, with a maximal value of 65.2% for compound 3 having CO32− as a counterion. A slightly lower contribution of H–H contacts (64.4%) was found for compound 4, in which the anionic part is represented by 1-hydroxy-2-methylpropan-2-yl carbamate. The significant contribution of the H–H contacts in the bifunctional moieties is due to the presence of a quaternary carbon atom with a short three-carbon chain. Full article
(This article belongs to the Section Supramolecular Chemistry)
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