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In silico Analysis of a Three-Finger Toxin from Micrurus corallinus Suggests Anticoagulant Potential through Structural Homology with Hemachatus haemachatus Toxins
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Introduction: Three-finger toxins (3FTx) are a diverse group of non-enzymatic polypeptides found in snake venoms, known for their broad range of biological activities. This study focuses on a specific 3FTx from the venom of the coral snake Micrurus corallinus (C6JUP0_MICCO). The objective is to identify potential biological targets for this toxin using advanced bioinformatics tools. Methods: The bioinformatics tools employed in this study include AlphaFold2, the DALI server, and Rosetta docking. AlphaFold2 was used to predict the three-dimensional structure of the toxin. The DALI server was then utilized to compare this structure with other known proteins to identify potential structural homologs. Finally, Rosetta docking was applied to predict the toxin's ability to interact with three specific receptors: the nicotinic acetylcholine receptor (nAChR), the muscarinic M1 acetylcholine receptor (M1_mAChR), and the alpha-7 nicotinic acetylcholine receptor (α7_nAChR). Results: The structural analysis using AlphaFold2 revealed that the 3FTx from Micrurus corallinus shares significant similarity with toxins from Hemachatus haemachatus, specifically a cytotoxin homolog (3SOE_HEMHA) and Ringhalexin (3SO1_HEMHA). DALI protein structure comparison confirmed these similarities, suggesting a possible shared functional role. However, the Rosetta docking results indicated that the Micrurus corallinus 3FTx does not establish significant interactions with nAChR, M1_mAChR, or α7_nAChR, which are common targets for many neurotoxic 3FTx. Conclusion: The Micrurus corallinus 3FTx exhibits structural similarities to toxins with known anticoagulant properties rather than neurotoxic effects. This suggests a potential anticoagulant action for this toxin, which aligns with the functional characteristics of its structural homologs from Hemachatus haemachatus. Further experimental studies are required to validate these findings and elucidate the exact biological activities of this 3FTx.

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A Comparative Analysis on Bioethanol production from degradation of Glutinous Rice Straw and Soybean Hull using Colletotrichum gloeosporioides

The Philippines, as a predominantly agricultural country and a leading exporter of agricultural products in Southeast Asia, generates significant agricultural waste each harvest season. Most of these wastes are straws and hulls, which are usually burned, decomposed, and dumped. This presents an opportunity to repurpose these wastes through bioethanol production that can be used in various applications such as in vehicle engines, energy generation, and as an effective industrial solvent. However, the potential of bioethanol from degraded glutinous rice straw and soybean hull using Colletotrichum gloeosporioides has not yet been explored. Therefore, this study will evaluate the use of the said fungal plant pathogen, causing leaf rot extracted from mango leaves to convert the agricultural wastes into bioethanol and determine which material produces the higher yield. Both the collected glutinous rice straw and soybean hull will be sun-dried and granulated before Colletotrichum gloeosporioides will be introduced to accelerate their biodegradability and to increase their sugar yields in preparation for simultaneous hydrolysis and fermentation (SHF). The collected mixture from SHF will then be distilled to isolate bioethanol yield from the raw materials. The findings of this study will demonstrate the potential for sustainable bioethanol production using local agricultural residues. The application of Colletotrichum gloeosporioides for degradation will offer an eco-friendly and cost-efficient alternative to traditional methods. These results will support the country’s renewable energy objectives and contribute to environmental sustainability. Furthermore, the study will encourage further exploration of microbial-based renewable energy technologies, highlighting their promising future for bioethanol production.

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A Hexa-Band Refractive Index Sensor Using a Symmetrical Boss-Cross Terahertz Metamaterial Absorber with Biomedical Applications

Terahertz (THz) metamaterial absorbers have become a prominent research topic in recent years. In this paper, a hexa-band metamaterial absorber is designed for bio-medical sensing applications. The design can detect changes in the surrounding medium's refractive index and operates in the refractive index range of 1.3 – 1.4, with six prominent absorption peaks. The proposed structure comprises a square ring resonator made up of gold with a boss-cross structure at the center, on top of a Gallium Arsenide (GaAs) substrate with a thickness of 8 μm. When the surrounding medium’s refractive index is 1.4, it offers six absorption peaks at 0.537 THz, 2.573 THz, 3.025 THz, 3.146 THz, 3.493 THz, and 3.739 THz, with corresponding peak absorptions of 75%, 92.9%, 98.4%, 95.3%, 94.1%, and 97.7%, respectively. The structure was designed at n = 1.4 instead of n = 1, as several biological specimens, such as blood, breast cells, etc., have a refractive index in the range of 1.3 - 1.4, and it offers six bands for n = 1.4. This choice was made because many biomedical applications have a refractive index around 1.4. The design parameters were selected through a parametric analysis so as to achieve maximum absorption peaks. The design was also tested with different polarization angles, and it was discovered that the absorber is polarization-insensitive. This design can inspire future research on the biomedical application of THz absorbers.

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Optical and thermal properties of lung tissue undergoing thermal treatment

Minimally invasive photothermal and thermal ablation techniques represent promising strategies for the treatment of tumors affecting lung tissue. In order to monitor and increase the effectiveness of these therapies, it is pivotal to characterize the optical–thermal response of lung tissue as a function of thermal treatment. In this study, we present the analysis of the optical and thermal properties of ex vivo calf and porcine lung tissue samples undergoing a homogenous thermal treatment from room to ablative temperature.

Optical properties, specifically the absorption coefficient (μa) and reduced scattering coefficient (μs), were estimated over a broadband spectral range from 657 nm to 1107 nm, using time-domain diffuse optical spectroscopy. Furthermore, the transient hot-wire technique was utilized for the measurements of the thermal properties, i.e., thermal conductivity (k) and thermal diffusivity (D), by means of a dual needle probe.

Concerning optical properties, the thermal treatment induced changes in the μa spectra, such as the rise of two more evident peaks at the wavelengths of 770 nm and 830 nm and a dip at ~910 nm at temperatures >75 °C. Conversely, for μs, related to the lung microstructure, minimal variations were observed during the thermal treatment.

Regarding thermal properties, both k and D experienced an exponential increment with tissue temperature. At ablative temperatures (~90 °C), the measured thermal properties reached average values more than 13 times higher than the nominal values estimated for the tissue samples at room temperature.

Overall, the characterization of the optical and thermal response of lung tissue subjected to thermal treatment could represent a step forward in the optimization of photothermal and thermo-ablative techniques for pulmonary tissue treatment.

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Color Stability of PET-G in Clear Aligners: Impact of Prolonged Exposure to Everyday Substances and its Psychological and Social Implications

Introduction: The transparency and aesthetics of clear aligners are critical factors that influence patient satisfaction and psychological and social well-being. Based on our previous research on the chemical–physical characterization of polyethylene terephthalate glycol (PET-G) aligners exposed to staining agents and cleaning solutions, this study aimed to evaluate the color stability of PET-G after prolonged exposure to everyday substances, potentially due to chemical interactions affecting aligner transparency.

Methods: Twenty-five sheets of PET-G and a truncated pyramid-shaped thermoforming mold were used to obtain flat samples (n = 220). These samples were immersed in various substances (coffee, tea, Coca-Cola, red wine, colloidal silver-based disinfectant, nicotine, artificial saliva, cigarette smoke, and three saliva solutions mixed with plain, coffee, and nicotine). Immersion times of 10 (n = 110) and 15 days (n = 110) were randomized. L*a*b* parameters were measured before and after immersion for colorimetric assessment, and the total color change (ΔE) was calculated for evaluation. Statistical analysis included nonparametric tests, with significance set at P < 0.05.

Results: Significant colorimetric changes were detected in PET-G samples exposed to acidic or polyphenol-rich substances, suggesting that chemical interactions may drive discoloration. Pairwise comparisons highlighted significant differences between ΔE values for groups exposed to different substances, particularly coffee, tea, and Coca-Cola, at both immersion durations. In addition, highly significant colorimetric changes were demonstrated between the two times, particularly for samples exposed to coffee, tea, and Coca-Cola. Clinical evaluations revealed slight to noticeable color changes, with Coca-Cola causing more pronounced changes, especially after 15 days.

Conclusions: Prolonged exposure to certain substances significantly affects PET-G's color stability, likely due to chemical adherence and degradation mechanisms, which has important psychological and social implications for patients undergoing orthodontic treatment. This study underscores the need for proactive strategies to maintain aligner transparency and enhance patient satisfaction.

  • Open access
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Evaluation of Adaptive Laboratory Evolution (ALE) Using the Comamonas sp. C10 Strain for the Enhancement of Polyhydroxybutyrate (PHB) Degradation Capability
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In recent years, biodegradable plastics have increasingly been adopted as alternatives to petroleum-based plastics to mitigate environmental pollution. Among these, polyhydroxybutyrate (PHB) is particularly favored due to its considerable strength and durability. However, the anticipated mass production and widespread use of biodegradable plastics may introduce new environmental challenges related to their decomposition. To address this issue, we isolated Comamonas sp. C10, an aerobic microorganism, from wood fragments around Mt. Kurodake in Japan and confirmed its capability to degrade PHB. While genetic modification could enhance degradation, it raises ecological concerns when applied to natural ecosystems. Recent findings by Cao et al. (2024) suggest that biodegradable microplastics may have equal or greater ecotoxicity than traditional plastics, making their rapid decomposition a pressing issue. This study employed Adaptive Laboratory Evolution (ALE) to investigate enhancements in PHB degradation. We incrementally increased PHB concentrations to 0.2%, 0.5%, and 0.8% during ALE. Once degradation rates exceeded 80% at each concentration, we conducted further degradation experiments using adapted cultures at higher PHB concentrations. The ALE-induced samples exhibited a degradation rate exceeding 60% within 48 hours, while the non-ALE-induced samples showed a degradation rate of approximately 36% over the same period. These results indicate that the degradation rate of ALE-induced samples is approximately 1.7 times higher than that of non-ALE-induced samples, highlighting the effectiveness of ALE. Additionally, experiments comparing the degradation rates with and without ALE induction using crude extracellular enzymes from strain C10 demonstrated that PHB degradation was consistently faster in the presence of ALE induction across all concentrations. This suggests that the enhanced degradation rate of strain C10 induced by ALE is attributable to the increased activity of its extracellular enzymes. In conclusion, our findings indicate that the ALE method is effective in enhancing the PHB degradation activity of Comamonas sp. C10, presenting a promising approach for improving the environmental performance of biodegradable plastics.

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Purification of Fc-fusion proteins without Chromatography, polymers, membranes or specific ligands

We introduce a new concept and a potentially general platform for the purification of Fc- fusion proteins that does not rely on any resins, chromatographic media, membranes or specific ligands but, rather, makes use of aromatic [metal–chelator] complexes. We modified and significantly expanded our existing technology which was used to purify antibodies in our previous studies. Our fully aromatic complex is composed of the chelator bathophenanthroline (batho) and metal ions (zinc or copper ions) to form [(batho)3:Zn2+] or [(batho)3:Cu2+] complexes. Our technology captures the target proteins quantitatively via [cation–pi] and [pi–pi] interactions and allows for their recovery at high yields (>80%, by densitometry) and purity (≥90%, by SDS-PAGE) while preserving their secondary structure, enzymatic activity and monomeric state. The entire process is performed at pH 7, thereby avoiding the complications that derive from exposure to harsh acidic conditions (e.g., aggregation or partial denaturation). The monomeric dispersity was preserved after the elution and evaluated by DLS (dynamic light scattering) and native page gel electrophoresis. The secondary structure of the target protein was not affected during the purification process and was confirmed by the technique of CD (Circular Dichroism). The biological activity of the purified protein was assessed and was preserved. Its cost-effectiveness and simple integration into the future industrial-scale downstream processing of therapeutic-grade biopharmaceuticals will be discussed. In future, we are planning to apply the same purification technology to different types of therapeutic proteins as an efficient purification platform while applying the necessary modifications.

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Anemia in patients with end-stage renal disease: a comparison between hemodialysis and peritoneal dialysis

Introduction: Anemia is a common complication in patients with end-stage renal disease, especially those on dialysis. Several factors, such as consumed erythropoietin production, iron deficiency, and inflammation, contribute to anemia in these patients. The treatment of anemia differs between hemodialysis (HD) and peritoneal dialysis (PD). HD is associated with blood loss through the extracorporeal circuit, while PD patients generally have better residual renal function and do not experience blood loss. These differences suggest that PD patients may have better control of anemia. Since the care for patients on dialysis has improved in recent years and there are no Brazilian data in this field, we aimed to compare the prevalence of anemia between PD and HD patients.

Methods: This was a cross-sectional study. The laboratory variables evaluated were hemoglobin, ferritin, and the transferrin saturation index. We included all patients who had been on dialysis for at least two months between September 2022 and September 2023. Anemia was defined as hemoglobin level < 10mg/dL.

Results: We included 58 patients on PD and 146 on HD. Comparison between PD and HD revealed no difference in age (p=0.104) or sex distribution (p=0.565). Hemoglobin levels were lower among patients on HD than PD, although this was not significant (10.5 ± 1.7 vs. 11.0 ± 1,7 mg/dL, p=0.069). There was no difference in iron or transferrin saturation between groups. Serum ferritin was higher among patients on HD [372 (184, 643) vs. 121 (64, 392) ng/mL, p=0.008]. Repeated measures over the year showed no significant change in hemoglobin levels among patients on PD (p=0.492) but this was not the case in those on HD (p<0.001). The prevalence of anemia was similar between HD and PD (35.0% vs. 25.5%, respectively, p=0.200).

Conclusion: We found a similar prevalence of anemia and hemoglobin levels between patients on HD and PD, despite higher levels of ferritin among patients on HD. This result suggests the need for a more intense supplementation of iron in patients on HD to target hemoglobin levels.

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Implementation of federated learning for peripheral blood cell identification across different clinical centers

Introduction and objectives:

Morphological analysis of peripheral blood is essential for diagnosis 80% of hematological diseases. Although automatic classification systems in morphological analyzers support diagnosis, image variability caused by differences in reagents, sample preparation, and analyzer optics between centers affects their performance. To address this challenge, this study proposes using federated learning, a collaborative training approach that adapts to the specific characteristics of each center while maintaining high performance despite image variability.

Methods:

The reference center, the Core Laboratory of the Hospital Clínic de Barcelona, provided 10298 images with five leukocyte classes: basophils, eosinophils, lymphocytes, monocytes, and neutrophils. Four public datasets were used as external centers in the federated learning approach: C1 (14514 images), C2 (2513), C3 (5000), and C4 (11353). Data were divided into training, validation, and test sets.

Initially, a VGG16 network was trained with the reference center data, achieving 99.4% accuracy. However, accuracy dropped significantly when evaluated on the external centers: 58.6% in C1, 93.2% in C2, 60.3% in C3, and 69.82% in C4.

The model’s performance was evaluated using precision, recall, specificity, and F1 score:

  • C1: 0.736, 0.586, 0.942, 0.657.
  • C2: 0.944, 0.932, 0.983, 0.931.
  • C3: 0.803, 0.603, 0.901, 0.562.
  • C4: 0.711, 0.698, 0.952, 0.785.

To improve generalization, a federated learning approach was used. The first three convolutional blocks of VGG16 were frozen, the remaining blocks were unfrozen to perform fine-tuning with the training sets of each centre, averaging the adjusted weights using the FedDyn technique. This resulted in a Final Global Model that is better adapted to the variability between centers.

Results:

The test sets from all four centers were evaluated again with the Final Global Model, showing significant increases in classification accuracy, 96.18% in C1, 99.6% in C2, 99.5% in C3, and 84.75% in C4, with corresponding metric improvements:

  • C1: 0.964, 0.952, 0.992, 0.958.
  • C2: 0.992, 0.992, 0.998, 0.992.
  • C3: 0.974, 0.973, 0.993, 0.973.
  • C4: 0.884, 0.888, 0.992, 0.885.

Conclusion:

Federated learning can effectively fine-tune classifiers in multicenter settings, making the model more robust to the variability between different datasets. This approach shows potential as a tool for automatic recognition in multicenter contexts.

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3D Motion Capture in Tennis: A Markerless Approach with MocapMe for Biomechanical Analysis

Tennis requires precise and rapid movements, making biomechanical assessments essential for optimizing player performance and preventing injuries. Traditional motion capture methods, while effective, are often expensive, highlighting the need for markerless alternatives. This study presents a dual-camera setup for 3D motion capture, expanding on previous research in this field. The system was tested using videos of tennis players recorded at a provincial Tennis Club, with MocapMe, a framework built on DeepLabCut and OpenPose.

The dataset includes synchronized recordings from two cameras capturing tennis strokes such as serves, forehands, and backhands, providing a robust foundation for analysis. A ResNet152 architecture was fine-tuned on this dataset to enable accurate 3D pose estimation. Preliminary tests indicate high accuracy in detecting key points, especially during complex movements like serves, and demonstrate the system’s stability across multiple trials. Although exact performance metrics are still being finalized, early results suggest that the system's accuracy is expected to significantly outperform previous 2D models, showing lower error rates and greater consistency.

This system offers rapid performance analysis and valuable insights for technique improvement and injury prevention. It holds significant potential for applications in sports biomechanics research, offering a practical solution for 3D biomechanical analysis in tennis. Future work will expand the dataset and integrate additional machine learning models to further enhance the system's capabilities.

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