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Search Results (198)

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19 pages, 6886 KiB  
Article
Nonparametric Prediction of Ship Maneuvering Motions Based on Interpretable NbeatsX Deep Learning Method
by Lijia Chen, Xinwei Zhou, Kezhong Liu, Yang Zhou and Hewei Tian
J. Mar. Sci. Eng. 2025, 13(8), 1417; https://doi.org/10.3390/jmse13081417 - 25 Jul 2025
Viewed by 234
Abstract
With the development of the shipbuilding industry, nonparametric prediction has become the mainstream method for predicting ship maneuvering motion. However, the lack of transparency and interpretability make the output process of the prediction results challenging to track and understand. An interpretable deep learning [...] Read more.
With the development of the shipbuilding industry, nonparametric prediction has become the mainstream method for predicting ship maneuvering motion. However, the lack of transparency and interpretability make the output process of the prediction results challenging to track and understand. An interpretable deep learning framework based on the NbeatsX model is presented for nonparametric ship maneuvering motion prediction. Its three-tier fully connected architecture incorporates trend, seasonal, and exogenous constraints to decompose motion data, enhancing temporal and contextual learning while rendering the prediction process transparent. On the KVLCC2 zig-zag maneuver dataset, NbeatsX achieves NRMSEs of 0.01872, 0.01234, and 0.01661 for surge speed, sway speed, and yaw rate, with SMAPEs of 9.21%, 6.40%, and 7.66% and R2 values all above 0.995, yielding a more than 20% average error reduction compared with LS-SVM, LSTM, and LSTM–Attention and reducing total training time by about 15%. This method unifies high-fidelity forecasting with transparent decision tracing. It is an effective aid for ship maneuvering, offering more credible support for maritime navigation and safety decision-making, and it has substantial practical application potential. Full article
(This article belongs to the Section Ocean Engineering)
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18 pages, 2762 KiB  
Article
Identification of Proteins Associated with Stably Integrated Maize b1 Tandem Repeat Transgene Chromatin
by Jason S. Lynn, Kathryn M. Koirtyohann, Yacob B. Gebreab, Jaliyah Edwards and Karen M. McGinnis
Plants 2025, 14(12), 1863; https://doi.org/10.3390/plants14121863 - 17 Jun 2025
Viewed by 561
Abstract
The control of gene expression by cis-regulatory DNA sequences is a conserved genomic feature. The maize booster1 gene (b1) is a naturally occurring locus that serves as a mechanistic model for the control of gene expression from a distal cis [...] Read more.
The control of gene expression by cis-regulatory DNA sequences is a conserved genomic feature. The maize booster1 gene (b1) is a naturally occurring locus that serves as a mechanistic model for the control of gene expression from a distal cis element and a form of allelic interactions called paramutation. Two epi-alleles of b1 produce distinct pigmentation phenotypes correlated with transcriptional enhancement and the silencing of b1. These transcriptional dynamics depend on a hepta-tandem repeat sequence located 100 kb upstream of the b1 locus. In the heterozygous condition, the B′ epi-allele paramutates B-I, heritably converting the B-I epi-allele to the epigenetic state and expression level of B′, producing lightly pigmented plants. To identify b1TR-associated proteins, we used a targeted chromatin immunoprecipitation approach with a stably integrated transgenic b1TR locus. Applying a conservative filtering strategy, we detected several expected factors, including RNA Polymerase II, as well as the novel putative DNA-binding proteins ZAG4 and DDT4. ZAG4 and DDT4 activated GAL expression using b1TR as bait in yeast one-hybrid, supporting their potential interaction with this sequence. The identification of proteins uniquely associated with the UAS::b1TR chromatin provides insight into potential b1 regulatory factors and offers a foundation for future studies to investigate their roles in gene regulation. Full article
(This article belongs to the Section Plant Molecular Biology)
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15 pages, 2443 KiB  
Article
Thermally Stable Anilate-Based 3D CPs/MOFs
by Fabio Manna, Noemi Monni, Mariangela Oggianu, Juan Modesto Clemente-Juan, Miguel Clemente-León and Maria Laura Mercuri
Crystals 2025, 15(6), 570; https://doi.org/10.3390/cryst15060570 - 17 Jun 2025
Viewed by 272
Abstract
The synthesis and characterization of two novel redox-active MOFs/CPs based on 3d transition metal ions and 3,6-ditriazolyl-2,5-dihydroxybenzoquinone (trz2An) are reported herein. By combining trz2An with NiII and MnII ions via the hydrothermal method, two phases, formulated as [...] Read more.
The synthesis and characterization of two novel redox-active MOFs/CPs based on 3d transition metal ions and 3,6-ditriazolyl-2,5-dihydroxybenzoquinone (trz2An) are reported herein. By combining trz2An with NiII and MnII ions via the hydrothermal method, two phases, formulated as [Ni2(trz2An)2]·2.5H2O (1) and [Mn(trz2An)(H2O)]·1.5H2O (2), are obtained. Both compounds crystallize as neutral polymeric 3D frameworks, where the metal ions are coordinated through the oxygen atoms of the anilate linkers forming either straight (1) or zig-zag (2) 1D chains. In particular, (1) is a MOF, where these chains are connected through the nitrogen atom at the 4 position of the triazolyl group, which completes the coordination sphere of each metal ion, affording a 3D structure containing a void volume of 28.7% and voids that can be useful for the sorption of small molecules. Interestingly, (1) and (2) show a redox behavior due to the presence of the anilate linker, being reduced electrochemically in the −0.7 to −0.9 V range due to the benzoquinone–semiquinone one-electron reduction and magnetic behavior dominated by antiferromagnetic interactions in the anilate 1D chains. Full article
(This article belongs to the Section Macromolecular Crystals)
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26 pages, 2650 KiB  
Article
Combining Metabolomics and Proteomics to Reveal Key Serum Compounds Related to Canine Intervertebral Disc Herniation
by Anita Horvatić, Josipa Kuleš, Andrea Gelemanović, Ozren Smolec, Boris Pirkić, Marko Pećin, Ivana Rubić, Vladimir Mrljak, Marko Samardžija and Marija Lipar
Metabolites 2025, 15(6), 396; https://doi.org/10.3390/metabo15060396 - 12 Jun 2025
Viewed by 724
Abstract
Background/Objectives: Canine intervertebral disc herniation (IVDH) is an important musculoskeletal pathology. Unlike in humans, IVDH mechanisms in dogs are underinvestigated from a system-level integrative omics point of view. The aim of this study was to identify key serum molecular players in canine [...] Read more.
Background/Objectives: Canine intervertebral disc herniation (IVDH) is an important musculoskeletal pathology. Unlike in humans, IVDH mechanisms in dogs are underinvestigated from a system-level integrative omics point of view. The aim of this study was to identify key serum molecular players in canine IVDH. Methods: An integrative multi-omics approach combining high-resolution LC-MS-based untargeted metabolomics and tandem mass tag (TMT)-based proteomics was applied. Additionally, serum zinc concentration was determined by spectrophotometry. Results: Nineteen serum metabolites were differentially abundant in IVDH dogs. Metabolite analysis highlighted dysregulation in lipoic acid and branched-chain amino acid (BCAA) metabolism, with elevated levels of valine, leucine, and isoleucine in IVDH. These findings suggest disrupted energy, nitrogen, and neurotransmitter metabolism, potentially contributing to the IVDH pathophysiology. Additionally, lower serum uridine, possibly influenced by BCAA accumulation, was observed, indicating altered neuroinflammatory responses. ELISA validation confirmed elevated serum levels of zinc-α2-glycoprotein (ZAG), alpha-1-microglobulin/bikunin precursor (AMBP), and vitronectin (VTN) in IVDH, supporting immune modulation and neuroprotective mechanisms. Serum prekallikrein (KLKB1) and Protein C inhibitor (SERPINA5), involved in fibrin cloth formation, were found to be lowered in IVDH patients. Pathway enrichment revealed disturbances in aromatic amino acid biosynthesis, with elevated phenylalanine, tyrosine, and tryptophan influencing neurotransmission and inflammation. In addition, elevated serum Zn concentration emphasized its antioxidant importance in immune response, wound healing, and neuropathic pain signaling. Conclusions: Integration with our prior CSF multi-omics data reinforced the relevance of identified molecules in IVDH-associated neurodegeneration, inflammation, and repair processes. This study offers insight into potential diagnostic biomarkers and therapeutic targets for canine IVDH through serum-based molecular profiling. Full article
(This article belongs to the Special Issue Mass Spectrometry-Based Technology for Metabolic Profiling)
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11 pages, 497 KiB  
Communication
Acute Downregulation of Zinc α2-Glycoprotein: Evidence from Human and HepG2 Cell Studies
by Èlia Navarro-Masip, David M. Selva, Cristina Hernández, Andreea Ciudin, Blanca Salinas-Roca, Julia Cabrera-Serra, Rafael Simó and Albert Lecube
Int. J. Mol. Sci. 2025, 26(12), 5438; https://doi.org/10.3390/ijms26125438 - 6 Jun 2025
Viewed by 448
Abstract
Zinc-alpha2-glycoprotein (ZAG) is a soluble glycoprotein primarily produced in adipocytes and the liver, with key roles in lipid metabolism, including lipolysis and the browning of adipose tissue. Despite extensive studies on its role in rodents, the relationship between ZAG and insulin in humans [...] Read more.
Zinc-alpha2-glycoprotein (ZAG) is a soluble glycoprotein primarily produced in adipocytes and the liver, with key roles in lipid metabolism, including lipolysis and the browning of adipose tissue. Despite extensive studies on its role in rodents, the relationship between ZAG and insulin in humans remains unclear. Given the emerging interest in ZAG’s involvement in metabolic diseases such as metabolic-dysfunction-associated steatotic liver disease, this study aimed to investigate the acute effects of insulin on ZAG levels both in vivo and in vitro. We recruited 24 healthy, individuals who were non-obese and assessed the impact of oral glucose overload, a standardized liquid nutritional supplement, and intravenous glucagon on circulating ZAG levels. In parallel, we explored the effects of insulin on ZAG production in cultured HepG2 cells. Our findings revealed a consistent acute reduction in serum ZAG levels following all in vivo tests, coinciding with increased insulin levels. In vitro, insulin rapidly downregulated ZAG protein and mRNA levels in HepG2 cells, with significant reductions observed within 15 min, followed by partial recovery after 2 h. These results suggest a potential acute inhibitory effect of insulin on ZAG production, supporting its role in promoting energy storage by suppressing lipolysis postprandially. This study provides new insights into the complex interplay between insulin and ZAG in regulating energy balance and highlights the potential of ZAG as a therapeutic target in metabolic diseases. Full article
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14 pages, 437 KiB  
Article
Seasonal Changes in Body Composition, Jump, Sprint, and Agility Performance Among Elite Female Handball Players
by Mima Stanković, Borko Katanić, Karuppasamy Govindasamy, Adela Badau, Dana Badau, Bojan Masanovic and Ivana Bojić
Appl. Sci. 2025, 15(11), 5846; https://doi.org/10.3390/app15115846 - 22 May 2025
Viewed by 606
Abstract
Assessing physical fitness throughout the entire season can provide valuable insights for designing effective training programs to enhance handball performance. Therefore, the aim of this study was to investigate seasonal changes in body composition, jump, sprint, and agility performance among elite female handball [...] Read more.
Assessing physical fitness throughout the entire season can provide valuable insights for designing effective training programs to enhance handball performance. Therefore, the aim of this study was to investigate seasonal changes in body composition, jump, sprint, and agility performance among elite female handball players. This study involved fourteen elite female handball players (age 21.98 ± 1.22) who participated in the Serbian Handball Super League and the European Handball Federation (EHF) European Cup during the 2022/23 season. Within the framework of seasonal changes, five measurements were made. Players were tested for height, weight, BMI, body fat and muscle mass percentage, jump performance (CMJ, CMJA, SJ, CMJ right, CMJ left), linear sprint (5 m, 10 m, 20 m), and agility performance (zig-zag and slalom). Repeated measures ANOVA revealed no changes in body composition parameters during the season. Among the five jump performance tests, a significant change was observed only in the CMJ left test, where better values were achieved in the fourth and fifth measurements compared to the initial measurement. In sprints over 5 and 10 m, significant changes were noted between specific measurement points, while no differences were observed in the 30-m sprint. For agility, differences were recorded in four out of five tests, with the best performances in the Zig-Zag tests observed in the third measurement, while in other tests, the best results were most often recorded in the second and fifth measurements. These results indicate that body composition remained stable, while performance improvements were specific to certain physical capacities and time points during the season. These findings can help coaches design targeted strength and agility training aligned with key performance periods, emphasizing short sprints and agility with/without the ball, rather than focusing on body composition changes. However, this study is limited by its small sample size and single-season scope, which may affect the generalizability of the results. Full article
(This article belongs to the Special Issue Exercise Physiology and Biomechanics in Human Health: 2nd Edition)
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14 pages, 4359 KiB  
Article
Optimization of Machining Parameters for the Fixed Pocket Cycle
by Felipe Stein, Nickolas Giacomitti, Gustavo Valério, Jorge Paulo, João Rocha and João Ribeiro
J. Manuf. Mater. Process. 2025, 9(5), 148; https://doi.org/10.3390/jmmp9050148 - 30 Apr 2025
Viewed by 616
Abstract
In a competitive industrial setting, optimizing machining processes is important for enhancing surface quality and productivity. This study focuses on optimizing pocket milling parameters for 5083 H111 aluminum alloy using three toolpath strategies: Zig-Zag, Parallel Spiral, and One-Way. To achieve these goals, the [...] Read more.
In a competitive industrial setting, optimizing machining processes is important for enhancing surface quality and productivity. This study focuses on optimizing pocket milling parameters for 5083 H111 aluminum alloy using three toolpath strategies: Zig-Zag, Parallel Spiral, and One-Way. To achieve these goals, the Taguchi method, Grey Relational Analysis (GRA), ANOVA, and visual amplification were employed to evaluate the influence of cutting speed (Vc), feed per tooth (fz), and axial depth of cut (ap) on surface roughness and production rate. For the Zig-Zag and Parallel Spiral tool paths, cutting speed was the most important factor affecting surface roughness. For the One-Way strategy, axial penetration was the most important factor. The Parallel Spiral toolpath, under the Vc of 150 m/min, the fz of 0.025 mm/tooth, and the ap of 1.0 mm (A3-B3-C1) configuration, achieved the best balance between surface finish and production rate. Visual analysis also showed significative differences in how rough the wall was along perpendicular and parallel tool paths, which made it clear that finishing passes are needed in some cases. This research shows that using both statistical methods and visual amplification together makes process optimization more organized and effective, which leads to better machining performance. Full article
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21 pages, 4357 KiB  
Article
Multifactorial Analysis of Wood Deterioration in Ancient Egypt: A Case Study of Khufu’s Second Solar Boat
by Shimaa Ibrahim, Paola Grenni, Lucia Mancini, Marco Voltolini, Hanan Mohamed Kamal Abdel-Fatah, Ahmed Refaat and Dina M. Atwa
Appl. Sci. 2025, 15(7), 3952; https://doi.org/10.3390/app15073952 - 3 Apr 2025
Cited by 2 | Viewed by 1379
Abstract
This study presents a multi-analytical investigation of the wooden components from Khufu’s Second Solar Boat, one of the valuable archaeological discoveries in ancient Egypt. The research integrates advanced imaging and analytical techniques to identify wood species, assess deterioration patterns, and characterize the fungal [...] Read more.
This study presents a multi-analytical investigation of the wooden components from Khufu’s Second Solar Boat, one of the valuable archaeological discoveries in ancient Egypt. The research integrates advanced imaging and analytical techniques to identify wood species, assess deterioration patterns, and characterize the fungal and bacterial biodeteriogens. The initial visual examination documented the state of preservation at the time of discovery. Subsequently, the identification of the wood species was carried out. The deterioration status was assessed using a variety of tools, including scanning electron microscopy (SEM) and high-resolution synchrotron radiation computed microtomography (SR-μCT) for morphological alterations, X-ray diffraction (XRD) for crystallinity changes and Fourier-transform infrared spectroscopy (FTIR) to assess chemical degradation indexes of wood. Moreover, molecular techniques were used to identify and characterize the presence of biodeterioration agents. Results indicate that ancient craftsmen used cedar wood for the boat construction. The analysed samples exhibited advanced biotic and abiotic degradation, as evidenced by microbiological assessments, XRD measurements of cellulose crystallinity, FTIR indices, SEM micrographs and SR-μCT data. These results provide crucial insights into the long-term degradation processes of archaeological wood in arid environments, enhancing our understanding of ancient Egyptian woodworking practices and informing future conservation strategies for similar artifacts. Full article
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14 pages, 4754 KiB  
Article
Slow Relaxation of Magnetization and Magnetocaloric Effects in One-Dimensional Oxamato-Based Lanthanide(III) Coordination Polymers
by Jhonny W. Maciel, Lucas H. G. Kalinke, Renato Rabelo, Meiry E. Alvarenga, Felipe Terra Martins, Nicolás Moliner and Danielle Cangussu
Magnetochemistry 2025, 11(4), 23; https://doi.org/10.3390/magnetochemistry11040023 - 24 Mar 2025
Cited by 1 | Viewed by 1048
Abstract
Herein, we present the synthesis and characterization of a series of isostructural lanthanide(III) compounds with the N-(4-carboxyphenyl)oxamic acid (H3pcpa) ligand of the general formula as {[Ln2(Hpcpa)3(H2O)5]}n [Ln = Dy(III) 1, [...] Read more.
Herein, we present the synthesis and characterization of a series of isostructural lanthanide(III) compounds with the N-(4-carboxyphenyl)oxamic acid (H3pcpa) ligand of the general formula as {[Ln2(Hpcpa)3(H2O)5]}n [Ln = Dy(III) 1, Ho(III) 2, Er(III) 3]. The structure of 3 consists of neutral zig–zag chains of Er(III) ions, with Hpcpa2– ligands acting as bridges in a bidentate/monodentate coordination mode with five water molecules achieving the eight-coordination around the two Er(III) ions within the repeating bis(carboxylate)-bridged dinuclear units along the chain. The magnetic and magnetocaloric properties were studied for 13. Compound 1 presents a field-induced slow relaxation of the magnetization with a “reciprocating thermal behavior” below 5 K for H = 0.25 T, while 2 shows maxima of the magnetic entropy from 3 up to 6 K for ΔH > 2 T. Full article
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15 pages, 5402 KiB  
Article
Comparative Transcriptomic Analysis of Male and Female Gonads in the Zig-Zag Eel (Mastacembelus armatus)
by Fangyu Cui, Yuanyuan Wang, Haiyan Liang, Yexin Yang, Zhiyong Jiang, Jiahuan Song, Chao Liu, Yuli Wu, Xidong Mu and Yi Liu
Fishes 2025, 10(3), 117; https://doi.org/10.3390/fishes10030117 - 6 Mar 2025
Viewed by 566
Abstract
The zig-zag eel (Mastacembelus armatus) is a unique economic fish species in China and exhibits significant dimorphism of male and female phenotypes. Cultivating all-male seedlings can significantly improve production efficiency. To investigate sex differentiation and gonadal development in M. armatus, [...] Read more.
The zig-zag eel (Mastacembelus armatus) is a unique economic fish species in China and exhibits significant dimorphism of male and female phenotypes. Cultivating all-male seedlings can significantly improve production efficiency. To investigate sex differentiation and gonadal development in M. armatus, high-throughput sequencing technology was used to analyze the transcriptomes of male and female gonads at different developmental stages, both before and after sex differentiation. We identified key genes involved in sex differentiation, male-specific differentially expressed genes (DEGs), including dmrt1, amh, sox9, gsdf, and dmrt2b, and female-biased DEGs, including foxl2, rspo1, gdf9, bmp15, and wnt4. GO and KEGG enrichment analyses revealed that signaling pathways such as MAPK, Wnt, and TGF-β play significant roles in sex differentiation in M. armatus. The expression levels of 13 sex-related genes, including dmrt1, sox9, amh, foxl2, rspo1, and wnt4, were determined by RT–qPCR in addition to RNA sequencing. RT-qPCR validation results were consistent with the transcriptomic data, confirming the reliability of our findings. This research provides valuable insights into the mechanisms of sex differentiation in M. armatus and lays a foundation for developing all-male populations in aquaculture. Full article
(This article belongs to the Special Issue Genetics and Breeding in Aquaculture)
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28 pages, 4802 KiB  
Article
An Analytical Study on the Thermal Post-Buckling Behaviors of Geometrically Imperfect FRC-Laminated Beams Using a Modified Zig-Zag Beam Model
by Zhoumi Wang and Qingchun Meng
Aerospace 2025, 12(2), 138; https://doi.org/10.3390/aerospace12020138 - 12 Feb 2025
Cited by 1 | Viewed by 786
Abstract
An asymptotic analytical method is proposed to study the thermal post-buckling behaviors of fiber-reinforced composite (FRC)-laminated beams with geometric imperfections employing a modified zig-zag beam model. The beam model satisfied the discontinuity of the shear deformation at the interlayer interfaces and the stress [...] Read more.
An asymptotic analytical method is proposed to study the thermal post-buckling behaviors of fiber-reinforced composite (FRC)-laminated beams with geometric imperfections employing a modified zig-zag beam model. The beam model satisfied the discontinuity of the shear deformation at the interlayer interfaces and the stress boundary conditions on the upper and lower surfaces. Each imperfection was assumed to possess the same shape as the buckling mode, and the in-plane boundary conditions were presumed to be immovable. A two-step perturbation method was used to solve the nonlinear governing equations and obtain the equilibrium path. Subsequently, the initial defect sensitivity of the post-buckling behaviors was analyzed. The existence of the bifurcation-type equilibrium path for perfect beams is discussed in depth. Load–deflection curves for beams with various boundary conditions and ply modes were plotted to illustrate these findings. The effects of the slenderness ratio, elastic modulus ratio, thermal expansion coefficient ratio, ply modes, and supported boundaries on the buckling and post-buckling behaviors were also investigated. The numerical results indicate that the slenderness ratio significantly influences the critical buckling temperature, with thicker beams exhibiting higher buckling resistance. The elastic modulus ratio also plays a crucial role, with higher ratios leading to increased buckling strength. Additionally, the thermal expansion coefficient ratio affects the post-buckling load-bearing capacity, with lower ratios resulting in greater stability. Full article
(This article belongs to the Section Aeronautics)
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16 pages, 4715 KiB  
Article
Respiratory Muscle Injury Following Acute Monocled Cobra (Naja kaouthia) Envenoming: Histopathological Study in Rat Diaphragm
by Wanida Chuaikhongthong, Wipapan Khimmaktong, Natyamee Thipthong, Nissara Lorthong and Janeyuth Chaisakul
Curr. Issues Mol. Biol. 2025, 47(2), 86; https://doi.org/10.3390/cimb47020086 - 29 Jan 2025
Viewed by 1614
Abstract
Clinical symptoms of monocled cobra (Naja kaouthia) envenoming include the paralysis of extraocular muscles, local tissue necrosis and death through respiratory failure. These neurotoxic outcomes are mainly due to the inhibitory action of postsynaptic neurotoxins to nicotinic acetylcholine receptors. However, injuries [...] Read more.
Clinical symptoms of monocled cobra (Naja kaouthia) envenoming include the paralysis of extraocular muscles, local tissue necrosis and death through respiratory failure. These neurotoxic outcomes are mainly due to the inhibitory action of postsynaptic neurotoxins to nicotinic acetylcholine receptors. However, injuries involving respiratory muscles have rarely been investigated. In this study, we determined the effect of N. kaouthia envenoming on morphological changes in the rat diaphragm. The efficacy of cobra monovalent antivenom in neutralising the histopathological effects of N. kaouthia venom was also evaluated. The intramuscular (i.m.) administration of N. kaouthia venom (2 mg/kg) caused skeletal muscle fibre atrophy and ruptures of myofibrils shown via a light microscope study. Transmission electron microscopy (TEM) revealed the zig-zagging of the Z-band, mitochondrial damages and degeneration of the synaptic fold of the neuromuscular junction following experimental cobra envenoming for 4 h. Intravenous administration of cobra antivenom at manufacturer-recommended doses diminished histopathological changes in the diaphragm following the administration of cobra venom. The expression of NF-kB and MuRF1 in the experimentally N. kaouthia-envenomed diaphragm indicated inflammation and tissue atrophy in the immunofluorescence analysis, respectively. In this study, we found that there were respiratory muscle injuries following N. kaouthia envenoming. The early administration of monovalent N. kaouthia antivenom is capable of neutralising neurotoxic outcomes following cobra envenoming. Full article
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17 pages, 4218 KiB  
Article
Operational Robustness of Amino Acid Recognition via Transverse Tunnelling Current Across Metallic Graphene Nano-Ribbon Electrodes: The Pro-Ser Case
by Giuseppe Zollo
Computation 2025, 13(2), 22; https://doi.org/10.3390/computation13020022 - 21 Jan 2025
Viewed by 844
Abstract
Asymmetric cove-edged graphene nano-ribbons were employed as metallic electrodes in a hybrid gap device structure with zig-zag graphene nano-ribbons terminations for amino acid recognition and peptide sequencing. On a theoretical basis, amino acid recognition is attained by calculating, using the non equilibrium Green [...] Read more.
Asymmetric cove-edged graphene nano-ribbons were employed as metallic electrodes in a hybrid gap device structure with zig-zag graphene nano-ribbons terminations for amino acid recognition and peptide sequencing. On a theoretical basis, amino acid recognition is attained by calculating, using the non equilibrium Green function scheme based on density functional theory, the transversal tunnelling current flowing across the gap device during the peptide translocation through the device. The reliability and robustness of this sequencing method versus relevant operations parameters, such as the bias, the gap size, and small perturbations of the atomistic structures, are studied for the paradigmatic case of Pro-Ser model peptide. I evidence that the main features of the tunnelling signal, that allow the recognition, survive for all of the operational conditions explored. I also evidence a sort of geometrical selective sensitivity of the hybrid cove-edged graphene nano-ribbons versus the bias that should be carefully considered for recognition. Full article
(This article belongs to the Section Computational Chemistry)
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20 pages, 24743 KiB  
Article
Investigation of Chip Morphology in Elliptical Vibration Micro-Turning of Silk Fibroin
by Zhengjian Wang, Xichun Luo, Jining Sun, Wenkun Xie, Yinchuan Piao, Yonghang Jiang and Xiuyuan Chen
Micromachines 2025, 16(1), 110; https://doi.org/10.3390/mi16010110 - 19 Jan 2025
Cited by 1 | Viewed by 1303
Abstract
Silk fibroin, known for its biocompatibility and biodegradability, holds significant promise for biomedical applications, particularly in drug delivery systems. The precise fabrication of silk fibroin particles, specifically those ranging from tens of nanometres to hundreds of microns, is critical for these uses. This [...] Read more.
Silk fibroin, known for its biocompatibility and biodegradability, holds significant promise for biomedical applications, particularly in drug delivery systems. The precise fabrication of silk fibroin particles, specifically those ranging from tens of nanometres to hundreds of microns, is critical for these uses. This study introduces elliptical vibration micro-turning as a method for producing silk fibroin particles in the form of cutting chips to serve as carriers for drug delivery systems. A hybrid finite element and smoothed particle hydrodynamics (FE-SPH) model was used to investigate how vibration parameters, such as frequency and amplitude, influence chip formation and morphology. This research is essential for determining the size and shape of silk fibroin particles, which are crucial for their effectiveness in drug delivery systems. The results demonstrate the superior capability of elliptical vibration micro-turning for producing shorter, spiral-shaped chips in the size range of tens of microns, in contrast to the long, continuous chips with zig-zag folds and segmented edges generated by conventional micro-turning. The unique zig-zag shapes result from the interplay between the high flexibility and hierarchical structure of silk fibroin and the controlled cutting environment provided by the diamond tool. Additionally, higher vibration frequencies and lower vertical amplitudes promote chip curling, facilitate breakage, and improve chip control, while reducing cutting forces. Experimental trials further validate the accuracy of the hybrid model. This study represents a significant advancement in the processing of silk fibroin film, offering a complementary approach to fabricating short, spiral-shaped silk fibroin particles with a high surface-area-to-volume ratio compared to traditional spheroids, which holds great potential for enhancing drug-loading efficiency in high-precision drug delivery systems. Full article
(This article belongs to the Special Issue Advances in Digital Manufacturing and Nano Fabrication)
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24 pages, 10210 KiB  
Article
Collision Milling of Oil Shale Ash as Constituent Pretreatment in Concrete 3D Printing
by Lucija Hanžič, Mateja Štefančič, Katarina Šter, Vesna Zalar Serjun, Māris Šinka, Alise Sapata, Genādijs Šahmenko, Evaldas Šerelis, Baiba Migliniece and Lidija Korat Bensa
Infrastructures 2025, 10(1), 18; https://doi.org/10.3390/infrastructures10010018 - 13 Jan 2025
Cited by 1 | Viewed by 1279
Abstract
Concrete is an essential construction material, and infrastructures, such as bridges, tunnels, and power plants, consume large quantities of it. Future infrastructure demands and sustainability issues necessitate the adoption of non-conventional supplementary cementitious materials (SCMs). At the same time, global labor shortages are [...] Read more.
Concrete is an essential construction material, and infrastructures, such as bridges, tunnels, and power plants, consume large quantities of it. Future infrastructure demands and sustainability issues necessitate the adoption of non-conventional supplementary cementitious materials (SCMs). At the same time, global labor shortages are compelling the conservative construction sector to implement autonomous and digital fabrication methods, such as 3D printing. This paper thus investigates the feasibility of using oil shale ash (OSA) as an SCM in concrete suitable for 3D printing, and collision milling is examined as a possible ash pretreatment. OSA from four different sources was collected and analyzed for its physical, chemical, and mineralogical composition. Concrete formulations containing ash were tested for mechanical performance, and the two best-performing formulations were assessed for printability. It was found that ash extracted from flue gases by the novel integrated desulfurizer has the greatest potential as an SCM due to globular particles that contain β-calcium silicate. The 56-day compression strength of concrete containing this type of ash is ~60 MPa, the same as in the reference composition. Overall, collision milling is effective in reducing the size of particles larger than 10 μm but does not seem beneficial for ash extracted from flue gasses. However, milling bottom ash may unlock its potential as an SCM, with the optimal milling frequency being ~100 Hz. Full article
(This article belongs to the Special Issue Innovative Solutions for Concrete Applications)
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