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45 pages, 507 KB  
Article
Cohomological Structure of Principal SO(3)-Bundles over Real Curves with Applications to Robot Orientation Control
by Álvaro Antón-Sancho
Mathematics 2025, 13(19), 3119; https://doi.org/10.3390/math13193119 - 29 Sep 2025
Abstract
This paper provides advances in the study of principal SO(3)-bundles over smooth projective real curves, with applications to robot manipulation orientation. The work introduces a novel specific classification of these bundles, establishing a bijection between isomorphism classes and specific [...] Read more.
This paper provides advances in the study of principal SO(3)-bundles over smooth projective real curves, with applications to robot manipulation orientation. The work introduces a novel specific classification of these bundles, establishing a bijection between isomorphism classes and specific direct sums of cyclic groups. The explicit computation of the cohomology ring H*(P,Z) for a principal SO(3)-bundle P over a real curve X, revealing its complete structure and torsion subgroups, is a major contribution of the paper. This paper further demonstrates that the equivariant cohomology HSO(3)*(P,Z) is isomorphic to H*(X,Z)H*(BSO(3),Z), with implications for connections and curvature. These results are then applied to robotics, showing that for manipulators with revolute joints, a principal SO(3)-bundle encoding end-effector orientation whose second Stiefel–Whitney class characterizes the obstruction to continuous orientation control exists. For robots with spherical wrists, the configuration space factors as a product, allowing for the decomposition of connections with control implications. Finally, a mechanical connection is constructed that minimizes kinetic energy, with its curvature identifying configurations where small perturbations cause large orientation changes. Full article
34 pages, 7771 KB  
Article
Improving Methanol Production from Carbon Dioxide Through Electrochemical Processes with Draining System
by Cristina Rincón and Carlos Armenta-Déu
Physchem 2025, 5(3), 37; https://doi.org/10.3390/physchem5030037 - 9 Sep 2025
Viewed by 454
Abstract
The paper describes the conversion of carbon dioxide into methanol in a chemical reactor under standard operating conditions. Electro-analytical techniques, cyclic voltammetry, and chrono-amperometry characterize the process. The electrochemical redox reaction develops using various catalyzers to evaluate the performance of the carbon dioxide [...] Read more.
The paper describes the conversion of carbon dioxide into methanol in a chemical reactor under standard operating conditions. Electro-analytical techniques, cyclic voltammetry, and chrono-amperometry characterize the process. The electrochemical redox reaction develops using various catalyzers to evaluate the performance of the carbon dioxide conversion into methanol process under variable chemical conditions. The results of the applied technique showed an incomplete redox reaction with an electronic change of z = 2.84 on average, below the ideal number, z = 6, that may be due to methanol decomposition (reverse reaction) because the system operates with a reaction constant above the equilibrium value. The methanol production may improve by draining the methanol/water solution from the chemical reactor to reduce the methanol concentration in the electrochemical cell, shifting the forward reaction towards the formation of methanol, increasing the electron change number, which approaches the ideal value, and improving the methanol production efficiency. The draining process shows a significant increase in methanol formation, which depends on the draining flow rate and the catalyzer type. A simulation process shows that if we operate in optimum conditions, with no methanol decomposition through a reverse reaction, the redox reaction fulfills the ideal condition of maximum electronic change. The experimental tests validate the simulation results, showing a relevant increase in the electron change number with values up to z = 4.2 for optimum draining flow rate conditions (0.2 L/s). The experimental results show a relative increase factor of 4.7 in methanol production, meaning we can produce more than four times more methanol compared with no draining techniques. The data analysis shows that the draining flow rate has a threshold of 0.2 L/s, beyond which the extent of the reaction reverses, reducing the methanol formation due to a chemical reaction disequilibrium. The paper concludes that using the draining method, the methanol production mass rate increases significantly from an average value of 20.9 kg/h for non-draining use, considering all catalyzer types, to a range between 91.9 kg/h and 104.3 kg/h, depending on the flow rate. Averaging all values for different flow rates and comparing with the non-draining case, we obtain an absolute methanol production mass rate of 77 kg/h, meaning an incremental percentage of 469.1%, more than four times the initial production. Although the proposed methodology looks promising, applying this procedure on an industrial scale may suffer from restrictions since the chemical reactions intervening in the methanol formation do not perform linearly. According to experimental tests, the best option among the six catalyzers used for methanol production is the plain copper, with copper oxides (Cu2O, CuO) and copper Sulphur (CuS) as feasible alternatives. Full article
(This article belongs to the Section Electrochemistry)
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18 pages, 4563 KB  
Article
Dynamic Characteristics of Key Meteorological Elements and Their Impacts on Major Crop Yields in Albic Soil Region of Sanjiang Plain in China
by Jingyang Li, Huanhuan Li, Qiuju Wang, Qingying Meng, Jiahe Zou, Yu Jiang and Chunwei Zhou
Atmosphere 2025, 16(8), 984; https://doi.org/10.3390/atmos16080984 - 19 Aug 2025
Viewed by 571
Abstract
The vulnerability of regional agricultural systems continues to intensify under the influence of global climate change. Understanding the spatiotemporal variation in meteorological elements and their agricultural response mechanisms has become a critical scientific challenge for ensuring food security. This study focuses on the [...] Read more.
The vulnerability of regional agricultural systems continues to intensify under the influence of global climate change. Understanding the spatiotemporal variation in meteorological elements and their agricultural response mechanisms has become a critical scientific challenge for ensuring food security. This study focuses on the 852 Farm in the typical area of the albic soil region on the Sanjiang Plain in China. This research integrates multi-source meteorological observations and crop yield data from 2001 to 2024. Using methods such as wavelet analysis, grey relational analysis, and cross-wavelet analysis, this study systematically investigates the dynamic changes and cyclical evolution patterns of key meteorological factors and their impact on the yields of different staple crops. The results indicate that, in terms of trend evolution, air temperature, relative humidity, and surface temperature show no significant upward trend (Z > 0; p > 0.05), while precipitation significantly increases (Z > 0; p < 0.05). Evaporation and sunlight show a nonsignificant downward trend (Z < 0; p > 0.05). The yields of rice, soybean, and corn generally exhibit fluctuating upward trends (Z > 0; p > 0.05). In terms of periodic coupling characteristics, meteorological factors exhibit multi-time-scale oscillations at 22a, 12a, and 8a. The yields of the three staple crops form significant time–frequency couplings with meteorological factors in the 22a and 8a periods. Regarding the correlation, air temperature demonstrates the highest grey correlation degree (γ ≥ 0.8) and strong coherence with crop yields, followed by precipitation and sunlight. These findings provide a theoretical and quantitative basis for understanding the multi-scale interactive mechanisms of climate adaptation in agricultural systems of the albic soil region, as well as for managing and optimizing climate-resilient farming practices. Full article
(This article belongs to the Section Meteorology)
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25 pages, 10477 KB  
Article
Synthesis, Structure, Electrochemistry, and In Vitro Anticancer and Anti-Migratory Activities of (Z)- and (E)-2-Substituted-3-Ferrocene-Acrylonitrile Hybrids and Their Derivatives
by William O. Mendoza-Morales, Esteban Rodríguez, Aliana González, Zulma Ramos, Jemily Acosta-Mercado, Dalice M. Piñero-Cruz, Claudia A. Ospina, Enrique Meléndez and Eliud Hernández-O’Farrill
Molecules 2025, 30(13), 2835; https://doi.org/10.3390/molecules30132835 - 2 Jul 2025
Viewed by 1187
Abstract
In this study, a series of (Z)- and (E)-2-substituted-3-ferrocene-acrylonitrile derivatives were synthesized, characterized, and evaluated in vitro for their anticancer and anti-migration properties. The compounds were synthesized via the Knoevenagel condensation of the appropriate benzyl cyanide or benzoyl acetonitrile [...] Read more.
In this study, a series of (Z)- and (E)-2-substituted-3-ferrocene-acrylonitrile derivatives were synthesized, characterized, and evaluated in vitro for their anticancer and anti-migration properties. The compounds were synthesized via the Knoevenagel condensation of the appropriate benzyl cyanide or benzoyl acetonitrile with ferrocenecarboxaldehyde 1, producing isolated yields of 99 to 23%. The structures of the compounds were analyzed using IR, 1H NMR, 13C{1H} NMR, GC-MS, and UV/Vis spectroscopic methods. Single-crystal X-ray diffraction analysis of representative compounds 21, 27, and 29 demonstrated that the geometry of the double bond was that of the (Z)-isomer. For representative compound 33, the geometry of the double bond was that of the (E)-isomer. Additionally, the electrochemistry of the compounds was investigated using cyclic voltammetry. The cytotoxic and anti-migratory effects of these compounds were evaluated in the MCF-7 and MDA-MB-231 breast cancer cell lines, providing insight into the structure–activity relationships. Preliminary investigations of their anticancer activity revealed that several compounds exhibit moderate antiproliferative effects on cancer cell lines, with GI50 values ranging from 23 to 44 μM for the MCF-7 cell line and from 9 to 41 μM for the MDA-MB-231 cell line. Moreover, compound (Z)-25 inhibited 13% of the migration activity of the metastatic MDA-MB-231 cell line. Full article
(This article belongs to the Special Issue Design, Synthesis and Applications of Bioactive Compounds)
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17 pages, 3368 KB  
Article
Enhanced Photocatalytic Performances and Mechanistic Insights for Novel Ag-Bridged Dual Z-Scheme AgI/Ag3PO4/WO3 Composites
by Chunlei Ma, Jianke Tang, Qi Wang, Rongqian Meng and Qiaoling Li
Inorganics 2025, 13(7), 222; https://doi.org/10.3390/inorganics13070222 - 1 Jul 2025
Viewed by 772
Abstract
In this study, AgI/Ag3PO4/WO3 ternary composite photocatalysts with dual Z-scheme heterojunction were fabricated via the in situ loading of Ag3PO4 onto WO3 followed by anion exchange. Compared to single photocatalysts and binary composites, the [...] Read more.
In this study, AgI/Ag3PO4/WO3 ternary composite photocatalysts with dual Z-scheme heterojunction were fabricated via the in situ loading of Ag3PO4 onto WO3 followed by anion exchange. Compared to single photocatalysts and binary composites, the AgI/Ag3PO4/WO3 composites exhibited enhanced photocatalytic activity in the photodegradation of chlortetracycline hydrochloride (CTC) under visible-light irradiation. Notably, the AAW-40 photocatalyst, which contained an AgI/Ag3PO4 molar ratio of 40%, degraded 75.7% of the CTC within 75 min. Moreover, AAW-40 demonstrated an excellent performance in the cyclic degradation of CTC over four cyclic degradation experiments. The separation and transfer kinetics of the AgI/Ag3PO4/WO3 composite were investigated with photoluminescence spectroscopy, time-resolved photoluminescence spectroscopy, and electrochemical measurements. The improved photocatalytic performance was primarily due to the creation of a silver-bridged dual Z-scheme heterojunction, which facilitated the efficient separation of photoinduced electron–hole pairs, retained the strong reducing capability of electrons in AgI, and ensured the strongly oxidizing nature of the photoexcited holes in WO3. The dual Z-scheme charge-transfer mechanism was further validated using in situ X-ray photoelectron spectroscopy. This study provides a foundation for developing innovative dual Z-scheme photocatalytic systems aimed at the efficient degradation of antibiotics in wastewater. Full article
(This article belongs to the Special Issue Inorganic Photocatalysts for Environmental Applications)
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20 pages, 7489 KB  
Article
Insights into the Silver Camphorimine Complexes Interactions with DNA Based on Cyclic Voltammetry and Docking Studies
by Joana P. Costa, Gonçalo C. Justino, Fernanda Marques and M. Fernanda N. N. Carvalho
Molecules 2025, 30(13), 2817; https://doi.org/10.3390/molecules30132817 - 30 Jun 2025
Viewed by 375
Abstract
Cyclic voltammetry (CV) is an accessible, readily available, non-expensive technique that can be used to search for the interaction of compounds with DNA and detect the strongest DNA-binding from a set of compounds, therefore allowing for the optimization of the number of cytotoxicity [...] Read more.
Cyclic voltammetry (CV) is an accessible, readily available, non-expensive technique that can be used to search for the interaction of compounds with DNA and detect the strongest DNA-binding from a set of compounds, therefore allowing for the optimization of the number of cytotoxicity assays. Focusing on this electrochemical approach, the study of twenty-seven camphorimine silver complexes of six different families was performed aiming at detecting interactions with calf thymus DNA (CT-DNA). All of the complexes display at least two cathodic waves attributed respectively to the Ag(I)→Ag(0) (higher potential) and ligand based (lower potential) reductions. In the presence of CT-DNA, a negative shift in the potential of the Ag(I)→Ag(0) reduction was observed in all cases. Additional changes in the potential of the waves, attributed to the ligand-based reduction, were also observed. The formation of a light grey product adherent to the Pt electrode in the case of {Ag(OH)} and {Ag2(µ-O)} complexes further corroborates the interaction of the complexes with CT-DNA detected by CV. The morphologic analysis of the light grey material was made by scanning electronic microscopy (SEM). The magnitude of the shift in the potential of the Ag(I)→Ag(0) reduction in the presence of CT-DNA differs among the families of the complexes. The complexes based on {Ag(NO3)} exhibit higher potential shifts than those based on {Ag(OH)}, while the characteristics of the ligand (AL-Y, BL-Y, CL-Z) and the imine substituents (Y,Z) fine-tune the potential shifts. The energy values calculated by docking corroborate the tendency in the magnitude of the interaction between the complexes and CT-DNA established by the reaction coefficient ratios (Q[Ag-DNA]/Q[Ag]). The molecular docking study extended the information regarding the type of interaction beyond the usual intercalation, groove binding, or electrostatic modes that are typically reported, allowing a finer understanding of the non-covalent interactions involved. The rationalization of the CV and cytotoxicity data for the Ag(I) camphorimine complexes support a direct relationship between the shifts in the potential and the cytotoxic activities of the complexes, aiding the decision on whether the cytotoxicity of a complex from a family is worthy of evaluation. Full article
(This article belongs to the Special Issue Metal-Based Drugs: Past, Present and Future, 3rd Edition)
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18 pages, 6277 KB  
Article
Fabrication and Characterization of a PZT-Based Touch Sensor Using Combined Spin-Coating and Sputtering Methods
by Melih Ozden, Omer Coban and Tevhit Karacali
Sensors 2025, 25(13), 3938; https://doi.org/10.3390/s25133938 - 24 Jun 2025
Cited by 1 | Viewed by 548
Abstract
This study presents the successful fabrication of lead zirconate titanate (PZT) thin films on silicon (Si) substrates using a hybrid deposition method combining spin-coating and RF sputtering techniques. Initially, a PZT layer was deposited through four successive spin-coating cycles, followed by an additional [...] Read more.
This study presents the successful fabrication of lead zirconate titanate (PZT) thin films on silicon (Si) substrates using a hybrid deposition method combining spin-coating and RF sputtering techniques. Initially, a PZT layer was deposited through four successive spin-coating cycles, followed by an additional layer formed via RF sputtering. The resulting multilayer structure was annealed at 700 °C for 2 h to improve crystallinity. Comprehensive material characterization was conducted using XRD, SEM, cross-sectional SEM, EDX, and UV–VIS absorbance spectroscopy. The analyses confirmed the formation of a well-crystallized perovskite phase, a uniform surface morphology, and an optical band gap of approximately 3.55 eV, supporting its suitability for sensing applications. Building upon these findings, a multilayer PZT-based touch sensor was fabricated and electrically characterized. Low-frequency I–V measurements demonstrated consistent and repeatable polarization behavior under cyclic loading conditions. In addition, |Z|–f measurements were performed to assess the sensor’s dynamic electrical behavior. Although expected dielectric responses were observed, the absence of distinct anti-resonance peaks suggested non-idealities linked to Ag+ ion diffusion from the electrode layers. To account for these effects, the classical Butterworth–Van Dyke (BVD) equivalent circuit model was extended with additional inductive and resistive components representing parasitic pathways. This modified model provided excellent agreement with the measured impedance and phase data, offering deeper insight into the interplay between material degradation and electrical performance. Overall, the developed sensor structure exhibits strong potential for use in piezoelectric sensing applications, particularly for tactile and pressure-based interfaces. Full article
(This article belongs to the Section Sensor Materials)
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43 pages, 10203 KB  
Article
Neural Adaptive Nonlinear MIMO Control for Bipedal Walking Robot Locomotion in Hazardous and Complex Task Applications
by Belkacem Bekhiti, Jamshed Iqbal, Kamel Hariche and George F. Fragulis
Robotics 2025, 14(6), 84; https://doi.org/10.3390/robotics14060084 - 17 Jun 2025
Cited by 1 | Viewed by 847
Abstract
This paper introduces a robust neural adaptive MIMO control strategy to improve the stability and adaptability of bipedal locomotion amid uncertainties and external disturbances. The control combines nonlinear dynamic inversion, finite-time convergence, and radial basis function (RBF) neural networks for fast, accurate trajectory [...] Read more.
This paper introduces a robust neural adaptive MIMO control strategy to improve the stability and adaptability of bipedal locomotion amid uncertainties and external disturbances. The control combines nonlinear dynamic inversion, finite-time convergence, and radial basis function (RBF) neural networks for fast, accurate trajectory tracking. The main novelty of the presented control strategy lies in unifying instantaneous feedback, real-time learning, and dynamic adaptation within a multivariable feedback framework, delivering superior robustness, precision, and real-time performance under extreme conditions. The control scheme is implemented on a 5-DOF underactuated RABBIT robot using a dSPACEDS1103 platform with a sampling rate of t=1.5 ms (667 Hz). The experimental results show excellent performance with the following: The robot achieved stable cyclic gaits while keeping the tracking error within e=±0.04 rad under nominal conditions. Under severe uncertainties of trunk mass variations mtrunk=+100%, limb inertia changes Ilimb=±30%, and actuator torque saturation at τ=±150 Nm, the robot maintains stable limit cycles with smooth control. The performance of the proposed controller is compared with classical nonlinear decoupling, non-adaptive finite-time, neural-fuzzy learning, and deep learning controls. The results demonstrate that the proposed method outperforms the four benchmark strategies, achieving the lowest errors and fastest convergence with the following: IAE=1.36, ITAE=2.43, ISE=0.68, tss=1.24 s, and Mp=2.21%. These results demonstrate evidence of high stability, rapid convergence, and robustness to disturbances and foot-slip. Full article
(This article belongs to the Section Humanoid and Human Robotics)
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14 pages, 5467 KB  
Article
A tetra-ortho-Chlorinated Azobenzene Molecule for Visible-Light Photon Energy Conversion and Storage
by Shuxin Tang, Yating Zhang, Jun Xia, Jing Qi, Fan Tang, Fei Zhai and Liqi Dong
Molecules 2025, 30(11), 2333; https://doi.org/10.3390/molecules30112333 - 27 May 2025
Cited by 1 | Viewed by 1030
Abstract
The development of photoactive molecules for photothermal energy storage is a focus of research in solar energy utilization technology. Azobenzene photoswitch has emerged as a promising candidate for solar energy conversion and storage due to its unique photoisomerization characteristics. Nonetheless, a majority of [...] Read more.
The development of photoactive molecules for photothermal energy storage is a focus of research in solar energy utilization technology. Azobenzene photoswitch has emerged as a promising candidate for solar energy conversion and storage due to its unique photoisomerization characteristics. Nonetheless, a majority of azobenzene-based molecular photothermal systems have a significant drawback: they depend on ultraviolet light for E-to-Z isomerization to store photon energy rather than visible light, which seriously hinders the development of azobenzene photoswitch in practical solar energy utilization applications. In this study, an azobenzene photothermal molecule that can effectively store visible-light photon energy was design and synthesized, which includes a tetra-ortho-chlorinated azo structure as the “head” part and an alkyl chain at para-position as the “tail” part. The ultraviolet–visible and 1H NMR spectrum indicated that the obtained tetra-ortho-chlorinated azobenzene photothermal molecule could effectively absorb and store photon energy under 550 nm irradiation and release the stored energy upon 430 nm light irradiation. The storage energy density of the charged azobenzene photothermal molecule was determined to be 13.50 kJ/mol through differential scanning calorimetry and 28.21 kJ/mol via density functional theory theoretical calculations. This discrepancy was ascribed to the 64% Z-isomer yield harvesting during the charging process. Furthermore, the obtained tetra-ortho-chlorinated azobenzene exhibited long-term energy storage (approximately 11 days of half-life) and cyclic stability (100 cycles). Notably, the E-isomer of tetra-ortho-chlorinated azobenzene exhibited a high degree of supercooling, which may be advantageous for use in extremely low-temperature environments. Full article
(This article belongs to the Section Photochemistry)
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27 pages, 8052 KB  
Article
The RNA Chaperone Hfq and Small Non-Coding RNAs Modulate the Biofilm Formation of the Fish Pathogen Yersinia ruckeri
by María J. Barros, Lillian G. Acuña, Felipe Hernández-Vera, Pía Vásquez-Arriagada, Diego Peñaloza, Ana Moya-Beltrán, Fausto Cabezas-Mera, Francisco Parra, Fernando Gil, Juan A. Fuentes and Iván L. Calderón
Int. J. Mol. Sci. 2025, 26(10), 4733; https://doi.org/10.3390/ijms26104733 - 15 May 2025
Cited by 1 | Viewed by 800
Abstract
The fish pathogen Yersinia ruckeri forms biofilms on abiotic surfaces, contributing to recurrent infections in aquaculture. Increasing evidence suggests that the RNA chaperone Hfq and small non-coding RNAs (sRNAs) are key regulators of bacterial biofilm formation. However, the regulatory mechanisms mediated by these [...] Read more.
The fish pathogen Yersinia ruckeri forms biofilms on abiotic surfaces, contributing to recurrent infections in aquaculture. Increasing evidence suggests that the RNA chaperone Hfq and small non-coding RNAs (sRNAs) are key regulators of bacterial biofilm formation. However, the regulatory mechanisms mediated by these factors remain largely unexplored in Y. ruckeri. In this study, we investigated the roles of Hfq and the Hfq-dependent sRNAs RprA, ArcZ, and RybB in the biofilm formation of Y. ruckeri. We first characterized the sRNAome of biofilm-forming cells, identifying the conserved RprA, ArcZ, and RybB, among the upregulated sRNAs. We then evaluated motility, biofilm formation, and architecture in strains lacking either hfqhfq) or these sRNAs (ΔsRNA). Our results reveal that both Δhfq and ΔsRNA strains exhibit significant alterations in biofilm and motility phenotypes, including changes in bacterial morphology and extracellular matrix. Furthermore, expression analyses indicate that these sRNAs modulate the transcription of key regulatory factors, flagellar and phosphodiesterase genes, ultimately influencing intracellular cyclic di-GMP levels, a key second messenger in biofilm formation. Together, our findings demonstrate that Hfq and its associated sRNAs play critical regulatory roles in Y. ruckeri biofilm formation by controlling the expression of genes involved in motility, bacterial envelope proteins, and c-di-GMP metabolism. Full article
(This article belongs to the Collection Feature Papers in Molecular Microbiology)
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13 pages, 11300 KB  
Article
Bond Behavior Between Steel Bar and Reactive Powder Concrete Under Repeated Loading
by Dewen Zhang, Yanming Feng, Ruihui Han, Xiangsheng Kong, Dehong Wang and Chao Ren
Buildings 2025, 15(8), 1305; https://doi.org/10.3390/buildings15081305 - 16 Apr 2025
Viewed by 499
Abstract
To investigate the influence of repeated loading on the bond behavior between steel bars and reactive powder concrete (RPC), this study conducted repeated loading tests on eight beam specimens and one static loading test as a control. The effects of stress levels and [...] Read more.
To investigate the influence of repeated loading on the bond behavior between steel bars and reactive powder concrete (RPC), this study conducted repeated loading tests on eight beam specimens and one static loading test as a control. The effects of stress levels and the number of repeated loading cycles on the bond behavior between steel bars and RPC were examined. The results indicate that the static failure mode was characterized by steel bar pull-out accompanied by significant plastic deformation, with no propagation of cracks in the RPC after their initiation, demonstrating the excellent crack control capability of RPC. After 10,000 cycles of repeated loading at a high stress level (Z = 0.9), the ultimate bond strength decreased by only 3.68%, indicating the superior fatigue resistance of the steel–RPC interface. Based on the analysis of slip accumulation effects, a constitutive model considering stress levels and the number of repeated loading cycles was established. This model can serve as a basis for the design of steel anchorage in RPC structures subjected to cyclic loading. Full article
(This article belongs to the Special Issue Sustainable and Low-Carbon Building Materials and Structures)
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27 pages, 1768 KB  
Review
A Review of Research on the Interfacial Shear Performance of Ultra-High-Performance Concrete and Normal Concrete Composite Structures
by Zhenjie Xu, Fengjiang Qin, Qiuwei Yang, Xi Peng and Bin Xu
Coatings 2025, 15(4), 414; https://doi.org/10.3390/coatings15040414 - 31 Mar 2025
Viewed by 2105
Abstract
The interfacial shear performance between ultra-high-performance concrete (UHPC) and normal concrete (NC) is a critical factor in determining the overall performance of composite structures. This paper systematically reviews the research progress on the interfacial shear performance of UHPC-NC, revealing the core mechanisms of [...] Read more.
The interfacial shear performance between ultra-high-performance concrete (UHPC) and normal concrete (NC) is a critical factor in determining the overall performance of composite structures. This paper systematically reviews the research progress on the interfacial shear performance of UHPC-NC, revealing the core mechanisms of bond strength (dominated by mechanical interlocking with chemical bonding as a supplementary factor). It compares the advantages and disadvantages of single-shear, Z-shaped shear, double-shear, and inclined shear tests, clarifying the influence patterns of key parameters such as interface roughness, matrix wetness, curing conditions, and fiber content. This study found that interface treatment is the most significant factor in improving shear strength. Roughening or grooving treatments can increase the strength by more than 40%~80%, while the combination of rebar planting and grooving can further enhance ductility. The matrix wetness (saturated and moist) and UHPC age (within 7 days) need to be strictly controlled to avoid differences in shrinkage stress. Prediction models based on mechanics, finite element analysis, and experimental data each have their advantages and disadvantages and should be selected based on actual working conditions. To address common issues in practical engineering, such as insufficient interface roughness, shrinkage cracking, and fatigue degradation under cyclic loading, it is recommended to adopt composite interface treatment techniques (such as roughening + rebar planting), prestressing design, and optimized fiber distribution (with a steel fiber content of 1.5%~2.5%). This paper provides the theoretical basis and practical guidance for the design optimization and construction control of UHPC reinforcement projects and composite structures. Full article
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16 pages, 2880 KB  
Article
Nucleophilic Addition Reactions to 10-Acetonitrilium Derivative of nido-Carborane and Intramolecular NH⋯HB Interactions in N-Alkyl Amidines 10-RNHC(Me)=NH-7,8-C2B9H11
by Kirill R. Pakholkov, Ekaterina V. Bogdanova, Marina Yu. Stogniy, Kyrill Yu. Suponitsky, Sergey A. Anufriev, Igor B. Sivaev and Vladimir I. Bregadze
Molecules 2025, 30(4), 828; https://doi.org/10.3390/molecules30040828 - 11 Feb 2025
Viewed by 964
Abstract
The addition reactions of water, alcohols, and primary and secondary amines to the 10-acetonitrilium derivative of nido-carborane were studied. Hydrolysis of 10-MeC≡N-7,8-C2B9H11 results in iminol 10-MeC(OH)=HN-7,8-C2B9H11, which, on treatment with a [...] Read more.
The addition reactions of water, alcohols, and primary and secondary amines to the 10-acetonitrilium derivative of nido-carborane were studied. Hydrolysis of 10-MeC≡N-7,8-C2B9H11 results in iminol 10-MeC(OH)=HN-7,8-C2B9H11, which, on treatment with a base, gives amide [10-MeC(=O)HN-7,8-C2B9H11]. The reactions of 10-MeC≡N-7,8-C2B9H11 with alcohols lead to imidates 10-ROC(Me)=HN-7,8-C2B9H11 (R = Me, Et) as mixtures of E- and Z-isomers. In the solid state, 10-MeOC(Me)=HN-7,8-C2B9H11 adopts E-configuration. The reactions of 10-MeC≡N-7,8-C2B9H11 with primary amines result in amidines 10-RNHC(Me)=HN-7,8-C2B9H11 (R = Me, Et) as mixtures of E- and Z-isomers. In the solid state 10-EtNHC(Me)=HN-7,8-C2B9H11 was found to have the Z-configuration, which is stabilized by intramolecular N-H⋯H-B interactions between the NH group originating from the primary amine and the BH group of the carborane cage. These interactions are rather strong (3.7 kcal/mol) and are likely to persist in solution. The reactions of 10-MeC≡N-7,8-C2B9H11 with secondary acyclic (Me2NH, Et2NH) and cyclic (piperidine, morpholine) amines result in amidines 10-R2NC(Me)=HN-7,8-C2B9H11 (R = Me, Et; R2 = N(CH2)5, N(CH2CH2)2O) as single isomers, which, according to single crystal X-ray diffraction data, have the E-configuration. Full article
(This article belongs to the Special Issue Boron Chemistry and Applications)
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16 pages, 584 KB  
Article
Group Constant-Sum Spectrum of Nearly Regular Graphs
by Tao-Ming Wang
Mathematics 2025, 13(3), 478; https://doi.org/10.3390/math13030478 - 31 Jan 2025
Viewed by 632
Abstract
For an undirected graph G, a zero-sum flow is an assignment of nonzero integer weights to the edges such that each vertex has a zero-sum, namely the sum of all incident edge weights with each vertex is zero. This concept is an [...] Read more.
For an undirected graph G, a zero-sum flow is an assignment of nonzero integer weights to the edges such that each vertex has a zero-sum, namely the sum of all incident edge weights with each vertex is zero. This concept is an undirected analog of nowhere-zero flows for directed graphs. We study a more general one, namely constant-sum A-flows, which gives edge weights using nonzero elements of an additive Abelian group A and requires each vertex to have a constant-sum instead. In particular, we focus on two special cases: A=Zk, the finite cyclic group of integer congruence modulo k, and A=Z, the infinite cyclic group of integers. The constant sum under a constant-sum A-flow is called an index of G for short, and the set of all possible constant sums (indices) of G is called the constant sum spectrum. It is denoted by Ik(G) and I(G) for A=Zk and A=Z, respectively. The zero-sum flows and constant-sum group flows for regular graphs regarding cases Z and Zk have been studied extensively in the literature over the years. In this article, we study the constant sum spectrum of nearly regular graphs such as wheel graphs Wn and fan graphs Fn in particular. We completely determine the constant-sum spectrum of fan graphs and wheel graphs concerning Zk and Z, respectively. Some open problems will be mentioned in the concluding remarks. Full article
(This article belongs to the Section E1: Mathematics and Computer Science)
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22 pages, 3444 KB  
Article
Synthesis, Antimalarial Activity and Molecular Dynamics Studies of Pipecolisporin: A Novel Cyclic Hexapeptide with Potent Therapeutic Potential
by Nety Kurniaty, Taufik Muhammad Fakih, Rani Maharani, Unang Supratman, Ace Tatang Hidayat, Nurhidanatasha Abu Bakar and Xiaoshuang Wei
Molecules 2025, 30(2), 304; https://doi.org/10.3390/molecules30020304 - 14 Jan 2025
Cited by 3 | Viewed by 1471
Abstract
Malaria, caused by Plasmodium species and transmitted by Anopheles mosquitoes, continues to pose a significant global health threat. Pipecolisporin, a cyclic hexapeptide isolated from Nigrospora oryzae, has emerged as a promising antimalarial candidate due to its potent biological activity and stability. This [...] Read more.
Malaria, caused by Plasmodium species and transmitted by Anopheles mosquitoes, continues to pose a significant global health threat. Pipecolisporin, a cyclic hexapeptide isolated from Nigrospora oryzae, has emerged as a promising antimalarial candidate due to its potent biological activity and stability. This study explores the synthesis, antimalarial activity, and computational studies of pipecolisporin, aiming to better understand its therapeutic potential. The peptide was successfully synthesized using Fmoc-based solid-phase peptide synthesis (SPPS) followed by cyclization in solution. The purified compound was characterized using HPLC and mass spectrometry, confirming a molecular ion peak at m/z [M + H]+ 692.4131, which matched the calculated mass. Structural verification through 1H- and 13C-NMR demonstrated strong alignment with the natural product. Pipecolisporin exhibited significant antimalarial activity with an IC50 of 26.0 ± 8.49 nM, highlighting its efficacy. In addition to the experimental synthesis, computational studies were conducted to analyze the interaction of pipecolisporin with key malaria-related enzymes, such as dihydrofolate reductase, plasmepsin V, and lactate dehydrogenase. These combined experimental and computational insights into pipecolisporin emphasize the importance of hydrophobic interactions, particularly in membrane penetration and receptor binding, for its antimalarial efficacy. Pipecolisporin represents a promising lead for future antimalarial drug development, with its efficacy, stability, and binding characteristics laying a solid foundation for ongoing research. Full article
(This article belongs to the Section Bioorganic Chemistry)
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