bluuebunny/crossref_metadata_2025 huggingface dataset:
Modified F(R,T)-Gravity Model Coupled with Magnetized Strange Quark Matter Fluid
Authors: Siddiqi Mohd Danish , Khan Meraj Ali , Al-Dayel Ibrahim
Published: February 2025

This research note presents the properties of the F(R,T)-gravity model in combination with magnetized strange quark matter. We obtain the equation of state for the magnetized strange quark matter in the F(R,T)-gravity model endowed with the Lagrangian through of Ricci curvature. We also examine the Ricci solitons supported by a time-like conformal vector field in F(R,T)-gravity, attached with magnetized strange quark matter fluid. Within this ongoing research, we give an estimate of the total quark pressure and total density in the phantom barrier and the radiation epochs of the Universe. Finally, using Ricci solitons, we study the various energy conditions, some black holes criteria, and Penrose’s singularity theorem for magnetized strange quark matter fluid spacetime coupled with the F(R,T)-gravity model.
Inference for Two-Parameter Birnbaum–Saunders Distribution Based on Type-II Censored Data with Application to the Fatigue Life of Aluminum Coupon Cuts
Authors: Bdair Omar M.
Published: February 2025

This study addresses the problem of parameter estimation and prediction for type-II censored data from the two-parameter Birnbaum–Saunders (BS) distribution. The BS distribution is commonly used in reliability analysis, particularly in modeling fatigue life. Accurate estimation and prediction are crucial in many fields where censored data frequently appear, such as material science, medical studies and industrial applications. This paper presents both frequentist and Bayesian approaches to estimate the shape and scale parameters of the BS distribution, along with the prediction of unobserved failure times. Random data are generated from the BS distribution under type-II censoring, where a pre-specified number of failures (m) is observed. The generated data are used to calculate the Maximum Likelihood Estimation (MLE) and Bayesian inference and evaluate their performances. The Bayesian method employs Markov Chain Monte Carlo (MCMC) sampling for point predictions and credible intervals. We apply the methods to both datasets generated under type-II censoring and real-world data on the fatigue life of 6061-T6 aluminum coupons. Although the results show that the two methods yield similar parameter estimates, the Bayesian approach offers more flexible and reliable prediction intervals. Extensive R codes are used to explain the practical application of these methods. Our findings confirm the advantages of Bayesian inference in handling censored data, especially when prior information is available for estimation. This work not only supports the theoretical understanding of the BS distribution under type-II censoring but also provides practical tools for analyzing real data in reliability and survival studies. Future research will discuss extensions of these methods to the multi-sample progressive censoring model with larger datasets and the integration of degradation models commonly encountered in industrial applications.
Support Vector Machines and Model Selection for Control Chart Pattern Recognition
Authors: Su Chih-Jen , Chen I-Fei , Tsai Tzong-Ru , Wang Tzu-Hsuan , Lio Yuhlong
Published: February 2025

Resource-intensiveness often occurs in modern industrial settings; meanwhile, common issues and irregular patterns in production can lead to defects and variations in work-piece dimensions, negatively impacting products and increasing costs. Utilizing traditional process control charts to monitor the process and identify potential anomalies is expensive when intensive resources are needed. To conquer these downsides, algorithms for control chart pattern recognition (CCPR) leverage machine learning models to detect non-normality or normality and ensure product quality is established, and novel approaches that integrate the support vector machine (SVM), random forest (RF), and K-nearest neighbors (KNN) methods with the model selection criterion, named SVM-, RF-, and KNN-CCPR, respectively, are proposed. The three CCPR approaches can save sample resources in the initial process monitoring, improve the weak learner’s ability to recognize non-normal data, and include normality as a special case. Simulation results and case studies show that the proposed SVM-CCPR method outperforms the other two competitors with the highest recognition rate and yields favorable performance for quality control.
Intelligent Congestion Control in Wireless Sensor Networks (WSN) Based on Generative Adversarial Networks (GANs) and Optimization Algorithms
Authors: Sefati Seyed Salar , Arasteh Bahman , Craciunescu Razvan , Comsa Ciprian-Romeo
Published: February 2025

Internet of Things (IoT) technology has facilitated the deployment of autonomous sensors in remote and challenging environments, enabling substantial advancements in environmental monitoring and data collection. IoT sensors continuously gather data, transmitting it to a central Base Station (BS) via designated Cluster Heads (CHs). However, data flow encounters frequent congestion at CH nodes, negatively impacting network performance and Quality of Service (QoS). This paper introduces a novel congestion control strategy tailored for Wireless Sensor Networks (WSNs) to balance energy efficiency and data reliability. The proposed approach follows an eight-step process, integrating Generative Adversarial Networks (GANs) for enhanced clustering and Ant Colony Optimization (ACO) for optimal CH selection and routing. GANs simulate realistic node clustering, achieving better load distribution and energy conservation across the network. ACO then selects CHs based on energy levels, distance, and network centrality, using pheromone-based routing to adaptively manage data flows. A congestion factor (CF) threshold is also incorporated to dynamically reroute traffic when congestion risks arise, preserving QoS. Simulation results show that this approach significantly improves QoS metrics, including latency, throughput, and reliability. Comparative evaluations reveal that our method outperforms existing frameworks, such as Fuzzy Structure and Genetic-Fuzzy (FSFG), Deep Reinforcement Learning Cache-Aware Congestion Control (DRL-CaCC), and Adaptive Cuckoo Search Rate Optimization (ACSRO).
Domain Adaptation Based on Human Feedback for Enhancing Image Denoising in Generative Models
Authors: Park Hyun-Cheol , Ngo Dat , Kang Sung Ho
Published: February 2025

How can human feedback be effectively integrated into generative models? This study addresses this question by proposing a method to enhance image denoising and achieve domain adaptation using human feedback. Deep generative models, while achieving remarkable performance in image denoising within training domains, often fail to generalize to unseen domains. To overcome this limitation, we introduce a novel approach that fine-tunes a denoising model using human feedback without requiring labeled target data. Our experiments demonstrate a significant improvement in denoising performance. For example, on the Fashion-MNIST test set, the peak signal-to-noise ratio (PSNR) increased by 94%, with an average improvement of 1.61 ± 2.78 dB and a maximum increase of 18.21 dB. Additionally, the proposed method effectively prevents catastrophic forgetting, as evidenced by the consistent performance on the original MNIST domain. By leveraging a reward model trained on human preferences, we show that the quality of denoised images can be significantly improved, even when applied to unseen target data. This work highlights the potential of human feedback for efficient domain adaptation in generative models, presenting a scalable and data-efficient solution for enhancing performance in diverse domains.
Numerical Transformation Methods for a Moving-Wall Boundary Layer Flow of a Rarefied Gas Free Stream over a Moving Flat Plate
Authors: Fazio Riccardo
Published: February 2025

In this paper, we present an original numerical method for the solution of a Blasius problem with extended boundary conditions. To this end, we extend to the proposed problem the non-iterative transformation method, proposed by Töpfer more than a century ago and defined for the numerical solution of the Blasius problem. The proposed method, which makes use of the invariance of two physical parameters with respect to an extended scaling group of point transformations, allows us to solve the Blasius problem numerically with extended boundary conditions by solving a related initial value problem and then rescaling the obtained numerical solution. Therefore, our method is an initial value method. However, in this way, we cannot fix the values of the physical parameters in advance, and if we just need to compute the numerical solution for given values of the two parameters, we have to define an iterative extension of the transformation method. Thus, in this paper, for the problem under study, we define a non-ITM and an ITM based on Lie groups scaling invariance theory.
Geliboluols A–D: Kaurane-Type Diterpenoids from the Marine-Derived Rare Actinomycete Actinomadura geliboluensis
Authors: Heo Chang-Su , Kang Jong Soon , Yang Jeong-Wook , Lee Min Ah , Lee Hwa-Sun , Kim Chang Hwan , Shin Hee Jae
Published: February 2025

Four new kaurane-type diterpenoids, geliboluols A–D (1–4), along with one known analog (5), were isolated from the culture broth of the marine-derived rare actinomycete Actinomadura geliboluensis. The structures of compounds 1–4 were determined by spectroscopic analysis (HR-ESIMS, 1D, and 2D NMR), the MPA method, and by comparing their optical rotation values with those in the literature. The new compounds were evaluated for their cytotoxicity against seven blood cancer cell lines by a CellTiter-Glo (CTG) assay and six solid cancer cell lines by a sulforhodamine B (SRB) assay. Among the new compounds, compound 4 exhibited moderate cytotoxic activity against some blood cancer cell lines, with GI50 values ranging from 2.59 to 19.64 µM, and against solid cancer cell lines with GI50 values ranging from 4.34 to 7.23 µM.
Correction: Gil-Almagro et al. Anxiety Evolution among Healthcare Workers—A Prospective Study Two Years after the Onset of the COVID-19 Pandemic Including Occupational and Psychoemotional Variables. Medicina 2024, 60, 1230
Authors: Gil-Almagro Fernanda , García-Hedrera Fernando José , Peñacoba-Puente Cecilia , Carmona-Monge Francisco Javier
Published: February 2025

In the original publication [...]
Relationship Between Inflammatory Markers (IL-6, Neutrophil–Lymphocyte Ratio, and C-Reactive Protein-Albumin Ratio) and Diabetic Ketoacidosis Severity: Correlation with Clinical Outcomes
Authors: Aslan Sirakaya Hatice , Sipahioglu Hilal , Cetinkaya Ali , Aydin Kaniye
Published: February 2025

Background and Objectives: The use of additional biomarkers to predict clinical course in diabetic ketoacidosis (DKA) is becoming increasingly important. The aim of this study was to investigate the relationship between interleukin-6 (IL-6) levels and the length of stay in the intensive care unit (ICU) in patients with DKA without signs of infection and to investigate the relationship between the neutrophil–lymphocyte ratio (NLR) and C-reactive protein (CRP) albumin ratio (CAR). Materials and Methods: This retrospective, single-center study included 78 patients with DKA without infection who were treated in the Medical ICU between July 2022 and June 2024. The patients were divided into two groups: moderate DKA (Group 1) and severe DKA (Group 2). The patients’ IL-6 levels, peripheral blood inflammatory markers (CAR, NLR), Acute Physiology and Chronic Health Evaluation (APACHE) II scores, and the duration of ICU stay were recorded. Results: The median duration of stay in the ICU was 2.00 (1–6) days in group 1 and 3.00 (1–26) days in group 2 (p = 0.001). The mean pH, HCO3, and CO2 values in Group 1 were 7.20 ± 0.07, 13.58 ± 2.11 mEq/L, and 29.45 ± 6.27 mmHg, while the mean pH, HCO3, and PCO2 values in Group 2 were 7.01 ± 0.11, 7.11 ± 1.91 mEq/L, and 20.35 ± 4.91 mmHg (p < 0.001, p < 0.001, p < 0.001, respectively). There was a strong positive correlation between IL-6 levels and the length of stay in the ICU (r = 0.813, p < 0.001). Additionally, there was a moderate positive correlation between the length of stay in the ICU with the severity of DKA (r = 0.475, p < 0.001), CAR (r = 0.336, p < 0.001), and NLR (r = 0.562, p < 0.001). Conclusions: Inflammatory markers such as NLR and CAR, and more specifically IL-6, were found to be associated with the clinical course and duration of stay in the ICU in patients with DKA.
MOTS-c Levels and Sarcopenia Risk in Chronic Peritoneal Dialysis Patients: A Pilot Study
Authors: Zicarelli Mariateresa , Greco Marta , Roumeliotis Stefanos , Lo Vasco Maria Elisa , Dragone Francesco , Kourtidou Christodoula , Alekos Ioannis , Misiti Roberta , Foti Daniela Patrizia , Coppolino Giuseppe , Liakopoulos Vassilios , Dounousi Evangelia , Bolignano Davide
Published: February 2025

Background and Objectives: Sarcopenia is exceedingly frequent in end-stage kidney disease (ESKD) patients on dialysis, including those undergoing peritoneal dialysis (PD), and is of multifactorial origin. MOTS-c is a mitochondrial-derived peptide that promotes muscle growth whose levels are unbalanced in ESKD. In this study, we evaluated MOTS-c balance and its relationship with sarcopenia risk in an ESKD-PD cohort. Materials and Methods: MOTS-c was measured in serum, urine, and dialysate samples of 32 chronic PD patients. Patients were thus screened for sarcopenia risk by the SARC-F tool, anthropometric measurements, and physical performance tests. Results: PD patients with a very high sarcopenia risk (SARC-F ≥ 2) had significantly lower serum (sMOTS-c) and higher dialysate (dMOTS-c) levels, suggesting an increased peritoneal clearance of this substance (d/s MOTS-c). sMOTS-c levels were directly correlated with muscle performance in physical tests, while an opposite relationship was found with dMOTS-c and d/sMOTS-c. ROC analyses demonstrated the diagnostic potential of MOTS-c, particularly in combination with physical and anthropometric assessments, to identify PD patients at very high risk of sarcopenia. Conclusions: Chronic PD may negatively affect MOTS-c balance, which, in turn, may contribute to enhanced sarcopenia risk. Larger studies are needed to confirm these observations and to validate the potential utility of this substance as a biomarker for improving sarcopenia risk stratification in PD patients.
Management of Deep Neck Infection Associated with Descending Necrotizing Mediastinitis: A Scoping Review
Authors: Cobzeanu Bogdan Mihail , Moisii Liliana , Palade Octavian Dragos , Ciofu Mihai , Severin Florentina , Dumitru Mihai , Radulescu Luminita , Martu Cristian , Cobzeanu Mihail Dan , Bandol Geanina
Published: February 2025

Deep neck infection is a pathology at the border of two specialties, otorhinolaryngology and maxillofacial surgery, and represents a medico-surgical emergency. In terms of its evolution, it can extend to the level of the thorax and result in mediastinitis, with difficult evolution and poor prognosis. The aims of this scoping review are to present the etiology, bacteriology, clinical manifestations, and diagnostics, as well as treatment, in light of the research published in the last 5 years on deep neck infection associated with descending necrotizing mediastinitis. The most common primary sources of deep neck infection are odontogenic and tonsillar. The other sources that are involved in deep neck infection are salivary glands, foreign bodies, malignancies, and iatrogenic causes after endoscopic maneuvers. The bacteriologic aspect is polymorphic, including both aerobic and anaerobic species. Complications that may appear include jugular vein thrombosis, airway obstruction, acute respiratory distress syndrome, sepsis, and disseminated intravascular coagulation. Timely diagnosis is important for ensuring the positive evolution of a deep neck infection. A CT scan is important for characterizing the nature of a deep neck lesion and identifying the spaces involved, and this method represents the gold standard for diagnosis of these lesions. Following the establishment of a definitive diagnosis, antibiotic therapy is initiated empirically, and is modified according to bacteriological exam results. The administration of antibiotics is an essential part of the treatment strategy for patients with a deep neck infection. Based on CT results, different surgical methods are applied under general anesthesia. The surgical strategy involves opening and draining the cervical spaces and debriding the necrotic tissue. In the cases of odontogenic causes, drainage and extraction of the infected teeth are performed. It is especially important to follow up on the dynamic progression of the patient. In the management of a deep neck infection associated with descending necrotizing mediastinitis, a multidisciplinary team is necessary.
Intelligent System for Reducing Waste and Enhancing Efficiency in Copper Production Using Machine Learning
Authors: Kenzhaliyev Bagdaulet , Imankulov Timur , Mukhanbet Aksultan , Kvyatkovskiy Sergey , Dyussebekova Maral , Tasmurzayev Nurdaulet
Published: February 2025

The growing environmental impact of copper production necessitates innovative approaches for optimizing metallurgical processes and minimizing waste. This study addresses this challenge by leveraging advanced machine learning (ML) techniques to enhance the efficiency of pyrometallurgical operations such as slag optimization, composition prediction, and waste minimization. Using a combination of real-world and synthetic data, we developed models capable of both forward prediction, estimating slag and matte compositions from ore characteristics, and backward prediction, inferring ore compositions from output characteristics. Five ML algorithms were evaluated, with Gradient Boosting and Support Vector Regression demonstrating superior performance in capturing complex, non-linear relationships. Forward prediction achieved near-perfect accuracy, while backward prediction highlighted the inherent complexity of inverse modeling. This backward-driven strategy proposed in this research aims to determine optimal ore compositions to achieve desired outputs, reducing waste and energy consumption. By integrating ML models with a systematic hyperparameter optimization approach, this work advances the potential for sustainable and precise metallurgical processes. While challenges remain in refining backward predictions, the findings demonstrate the transformative potential of data-driven strategies in industrial metallurgy, paving the way for environmentally sustainable and economically efficient copper production practices.
Metaheuristic Prediction Models for Kerf Deviation in Nd-YAG Laser Cutting of AlZnMgCu1.5 Alloy
Authors: Tamilarasan Arulvalavan , Rajamani Devaraj
Published: February 2025

In the present research, the AlZnMgCu1.5 alloy was machined via an industrial-type Nd-YAG laser cutting process. The Box–Behnken design of response surface methodology was used to plan the trials. The experiments were carried out by varying the nitrogen pressure (4–10 bar), pulse energy (2.5–5.5 J), cutting speed (10–18 mm/min), and pulse width (1.5–2 ms). ANOVA was conducted to assess the impact of process factors on response characteristics. The ANOVA results suggest that nitrogen pressure has the greatest influence on the input process parameters. A detailed investigation was conducted to examine the effects of various parameters on kerf deviation. The metaheuristic algorithms (i.e., Giant Trevally Optimizer—GTO; and Zebra Optimization Algorithm—ZOA) were implemented to determine the optimum process parameters for producing the best performance measures. A comparative analysis demonstrated that the parametric value provided by the GTO algorithm, which adheres to the ZOA method, yielded the lowest response. Optimization using GTO resulted in a 6.71% improvement in kerf deviation prediction accuracy compared to experimental values, while ZOA achieved a 2.37% improvement. Furthermore, GTO demonstrated superior computational efficiency, converging in 5.687 s, significantly faster than the 11.548 s required by ZOA. The optimal solution suggested by the GTO algorithm is further verified using a confirmation test on the random settings. In addition, the surface morphology of the laser-cut kerf surfaces was analyzed using SEM images. Through this, it is confirmed that the metaheuristic algorithm of GTO is more suitable for finding the optimum process parameters.
Preparation of Highly Antibacterial Polyethersulfone/Sulfonated Polyethersulfone Blend Composite Membrane and Research on Its Dye Separation Performance
Authors: Meng Na , Mi Jialing , Chen Xuan , Liu Jinxin , Zhu Hualei , Zheng Xiaoyu
Published: February 2025

Bringing sulfonic acid groups into conventional polyethersulfone (PES) materials to prepare PES/sulfonated polyethersulfone (SPES) composite membranes has been shown to markedly enhance the hydrophilicity of the membranes and boost their separation efficiency in water treatment applications. However, membrane fouling due to microbial activity remains a critical challenge in the practical use of these membranes. Despite this, research into the antibacterial capabilities of PES/SPES composite membranes is scarce. This study employed the nonsolvent-induced phase inversion technique to prepare PES/SPES blend membranes and examined how the solid content influences their microstructure and separation performance. The findings indicated that an increase in solid content leads to higher casting solution viscosity, a reduction in membrane porosity from 10.8% to 4.06%, an increase in tensile strength from 0.79 MPa to 5.06 MPa, and a significant improvement in methylene blue rejection from 50% to nearly 100%. Additionally, the study revealed that the incorporation of SPES into the blend membranes enhances their resistance to bacterial adhesion, effectively suppressing microbial growth. Notably, the higher the sulfonic acid group content, the better the antibacterial properties of the composite membranes.
High-Power Ultrasound and High-Voltage Electrical Discharge-Assisted Extractions of Bioactive Compounds from Sugar Beet (Beta vulgaris L.) Waste: Electron Spin Resonance and Optical Emission Spectroscopy Analysis
Authors: Dukić Josipa , Režek Jambrak Anet , Jurec Jurica , Merunka Dalibor , Valić Srećko , Radičić Rafaela , Krstulović Nikša , Nutrizio Marinela , Dubrović Igor
Published: February 2025

To achieve sustainable extractions, this study examines the impact of different extraction methods to utilize waste from the sugar industry. In addition to conventional thermal extraction, the impact of high-power ultrasound (US) and high-voltage electrical discharge (HVED)-assisted extractions on the yield of bioactive compounds and the antioxidant capacity (AC) value of sugar beet leaf extracts was determined. US extraction proved to be an excellent method for extracting bioactive compounds, while HVED extraction proved to be an excellent method for extracting Vitexin. AC was measured both spectrophotometrically (DPPH and FRAP) and spectroscopically via electron spin resonance (ESR). The AC results correlate with each other, and the highest AC values were found in the US-treated samples with 25% ethanol solution as the extraction solvent. Characterization of the plasma via optical emission spectroscopy (OES) showed that neither the solvent nor the sample influenced the plasma spectra, only the gas used (nitrogen/argon). All of the obtained results provide an excellent basis for future research into the utilization of food waste and by-products.
A Comprehensive Review of Bioactive Tannins in Foods and Beverages: Functional Properties, Health Benefits, and Sensory Qualities
Authors: Cosme Fernanda , Aires Alfredo , Pinto Teresa , Oliveira Ivo , Vilela Alice , Gonçalves Berta
Published: February 2025

Tannins, a diverse class of polyphenolic compounds, are widely present in a variety of plant-based foods and beverages, where they contribute significantly to flavor, astringency, and numerous health benefits. Known for their antioxidant, anti-inflammatory, and cardioprotective properties, tannins are associated with a reduced risk of chronic diseases such as cardiovascular disease, cancer, and diabetes. Their bioavailability and metabolism are influenced by factors such as polymerization, solubility, and interactions with the gut microbiota. Tannin-rich beverages, including tea, wine, fruit juices, and cider, offer a range of health-promoting effects, including antioxidant, cardioprotective, and antimicrobial activities. In addition, tannins contribute significantly to the sensory and nutritional characteristics of fruits, nuts, and vegetables, influencing flavor, color, and nutrient absorption. The levels and efficacy of tannins are subject to variation due to factors such as ripeness and food processing methods, which can increase their impact on food quality and health. This review provides a comprehensive examination of the bioactive roles of tannins, their nutritional implications, and their sensory effects, highlighting their importance in both dietary applications and overall well-being.
Cytotoxic Organometallic Iridium(III) Complexes
Authors: Kostova Irena
Published: February 2025

Iridium complexes attract a lot of attention as highly promising antitumor agents due to their various structures, which offer the modification of their physicochemical and biological effects. Compared to conventional platinum-based drugs, iridium complexes are commonly thought to be more active in tumors, resistant to platinum agents and more stable in air and moisture conditions. Chloridoiridium complexes offer a range of advantages facilitating their rational design, reactivity and photochemical activity, leading to different cytotoxic profiles, diverse mechanisms of action and specific intracellular organelles as targets. They are also known as good light-mediated chemotherapeutics, serving as bioimaging and biosensing agents. The potential biological and photophysical properties of chloridoiridium(III) complexes can be readily controlled by suitable ligand modifications and substitution patterns, providing a wide range of versatile structures. Over the years, numerous different structural types of chloridoiridium complexes have been developed and studied for their antineoplastic activity. In this review, the recent advances in the cytotoxicity studies of chloridoiridium(III) compounds have been summarized. The studied complexes have been categorized in this review according to the number of coordinated ligands, the type of donor atoms, nuclearity of the complexes, etc., allowing for a thorough discussion of the structure–activity relationship.
Comparative Analysis of Estragole, Methyleugenol, Myristicin, and Elemicin Regarding Micronucleus Formation in V79 Cells
Authors: Eisenreich Andreas , Wittek Lucas , Sagmeister Marlies , Kruse Mia , Krüger Josephine , Sachse Benjamin , Menz Jakob , Götz Mario E. , Schäfer Bernd
Published: February 2025

Alkenylbenzenes occur as natural constituents in a variety of edible plants, in particular those herbs and spices used to give a distinctive flavor to a range of food and feed items. Some alkenylbenzenes with relevance for food, such as estragole and methyleugenol, are known to be genotoxic and carcinogenic in rodents. However, the genotoxic and carcinogenic potential of other structurally related alkenylbenzenes, such as myristicin and elemicin, is still under scientific discussion. Here, we investigated the potential of myristicin and elemicin to induce micronuclei (MN) in V79 cells in comparison to that of estragole and methyleugenol. In addition, we determined the impact of these alkenylbenzenes on cell viability and on the induction of apoptosis and necrosis. All tested alkenylbenzenes affected cell viability in a concentration-dependent manner, albeit to varying degrees. Regarding MN formation, elemicin induced a weak but statistically significant response at 100 µM and 500 µM in the absence of an exogenous metabolizing system (S9 mix). Negative results were obtained for estragole and myristicin at the highest tested non-cytotoxic concentration of 10 µM and 100 µM, respectively. For methyleugenol, the MN assay results were considered equivocal, since the observed change in MN induction was rather small and not supported by a concentration-related trend. These findings indicate that traditional in vitro test systems utilizing exogenous metabolizing systems have limited explanatory power with regard to the genotoxic potential of alkenylbenzenes.
New Insights in Natural Bioactive Compounds for Periodontal Disease: Advanced Molecular Mechanisms and Therapeutic Potential
Authors: Hashim Nada Tawfig , Babiker Rasha , Chaitanya Nallan C. S. K. , Mohammed Riham , Priya Sivan Padma , Padmanabhan Vivek , Ahmed Ayman , Dasnadi Shahista Parveen , Islam Md Sofiqul , Gismalla Bakri Gobara , Rahman Muhammed Mustahsen
Published: February 2025

Periodontal disease is a chronic inflammatory condition that destroys the tooth-supporting structures due to the host’s immune response to microbial biofilms. Traditional periodontal treatments, such as scaling and root planing, pharmacological interventions, and surgical procedures, have significant limitations, including difficulty accessing deep periodontal pockets, biofilm recolonization, and the development of antibiotic resistance. In light of these challenges, natural bioactive compounds derived from plants, herbs, and other natural sources offer a promising alternative due to their anti-inflammatory, antioxidant, antimicrobial, and tissue-regenerative properties. This review focuses on the molecular mechanisms through which bioactive compounds, such as curcumin, resveratrol, epigallocatechin gallate (EGCG), baicalin, carvacrol, berberine, essential oils, and Gum Arabic, exert therapeutic effects in periodontal disease. Bioactive compounds inhibit critical inflammatory pathways like NF-κB, JAK/STAT, and MAPK while activating protective pathways such as Nrf2/ARE, reducing cytokine production and oxidative stress. They also inhibit the activity of matrix metalloproteinases (MMPs), preventing tissue degradation and promoting healing. In addition, these compounds have demonstrated the potential to disrupt bacterial biofilms by interfering with quorum sensing, targeting bacterial cell membranes, and enhancing antibiotic efficacy.Bioactive compounds also modulate the immune system by shifting the balance from pro-inflammatory to anti-inflammatory responses and promoting efferocytosis, which helps resolve inflammation and supports tissue regeneration. However, despite the promising potential of these compounds, challenges related to their poor bioavailability, stability in the oral cavity, and the absence of large-scale clinical trials need to be addressed. Future strategies should prioritize the development of advanced delivery systems like nanoparticles and hydrogels to enhance bioavailability and sustain release, alongside long-term studies to assess the effects of these compounds in human populations. Furthermore, combining bioactive compounds with traditional treatments could provide synergistic benefits in managing periodontal disease. This review aims to explore the therapeutic potential of natural bioactive compounds in managing periodontal disease, emphasizing their molecular mechanisms of action and offering insights into their integration with conventional therapies for a more comprehensive approach to periodontal health.
Excitation Energy Transfer Dynamics from Carotenoid to Bacteriochlorophyll a in the LH2 Complex of Rhodobacter sphaeroides: Insights from Reconstitution Experiments with Carotenoids and B800 Bacteriochlorophyll a
Authors: Uragami Chiasa , Yoshida Marina , Gardiner Alastair T. , Cogdell Richard J. , Hashimoto Hideki
Published: February 2025

Carotenoids are crucial for photosynthesis, playing key roles in light harvesting and photoprotection. In this study, spheroidene and bacteriochlorophyll a (Bchl a) were reconstituted into the chromatophores of the carotenoidless mutant Rhodobacter sphaeroides R26.1, resulting in the preparation of high-quality LH2 complexes. Global and target analyses of transient absorption data revealed that incorporating B800 Bchl a significantly enhances excitation energy transfer (EET) efficiency from carotenoids to Bchl a. EET predominantly occurs from the carotenoid S2 state, with additional pathways from the S1 state observed in native LH2. Unique relaxation dynamics were identified, including the generation of the carotenoid S* state in reconstituted LH2 with both spheroidene and B800 Bchl a and the formation of the carotenoid T1 state in reconstituted LH2. These findings underscore the critical influence of pigment composition and spatial organization on energy transfer mechanisms. They provide valuable insights into the molecular interplay that governs excitation energy transfer in photosynthetic light-harvesting systems.
Preparation of Glass-Ceramic Materials by Controlled Crystallization of Eu2O3-Doped WO3-B2O3-La2O3 Glasses and Their Luminescent Properties
Authors: Yordanova Aneliya , Milanova Margarita , Aleksandrov Lyubomir , Iordanova Reni , Tzvetkov Peter , Markov Pavel , Petrova Petia
Published: February 2025

In this paper, the crystallization behavior of 52WO3:22B2O3:26La2O3:0.5Eu2O3 glass has been investigated in detail by XRD and TEM analysis. The luminescent properties of the resulting glass-ceramics were also investigated. By XRD and TEM analysis, crystallization of β-La2W2O9 and La2WO6 crystalline phases has been proved. Photoluminescent spectra showed increased emission in the resulting glass-ceramic samples compared to the parent glass sample due to higher asymmetry of Eu3+ ions in the obtained crystalline phases, where the active Eu3+ ions are incorporated. Also, in the glass-ceramics, the crystalline particles are embedded in the amorphous matrix and more of them are separated from each other which improves the light scattering intensity from the free interfaces of the nanocrystallites, resulting in the enhancement of the PL intensity. It was established that the optimum emission intensity is registered for glass-ceramic samples obtained after an 18 h heat treatment of the parent glass. After 21 h of glass crystallization, the amount of crystallite particles is high enough, and they are in close proximity to each other, and hence, the average distance between europium ions decreases, resulting in quenching of Eu3+ and a decrease in the emission intensity. Additionally, at 21 h of glass crystallization, formation of new crystalline phase—La2WO6 is established. A redistribution of Eu3+ ions in the different crystalline compounds is most likely taking place, which is also not favorable for the emission intensity.
Payload Design and Evaluation of Staphylococcus epidermidis Adhesion to Nonfouling Polyampholyte Coatings Onboard the International Space Station
Authors: Shea Adrienne , Harvey Kaitlyn , Keeley Ashley , Johnson Hannah , Hansen Niko , McCormack Roslyn , Stelck Kael , Lindsay Travis , Bryant Adriana , Bernards Matthew T.
Published: February 2025

The accumulation of biofilms can potentially be very costly in terms of damage to mechanical systems and health impact on the human body. Space travel, especially long-term space travel, compounds the complications that arise from the accumulation of biofilms because of the lack of access to resources. This study investigates the ability of polyampholyte copolymer thin films to reduce bacteria adhesion in microgravity. Copolymer systems of [2-(acryloyloxy)ethyl] trimethylammonium chloride (TMA) and 2-carboxyethyl acrylate (CAA) and TMA and 3-sulfopropyl methacrylate potassium salt (SA) have previously shown resistance to bacteria adhesion under gravity-impacted conditions. However, their performance under microgravity conditions has never been evaluated. A self-contained payload was designed around multiple constraints to evaluate the ability of the TMA/CAA and TMA/SA thin film coatings to reduce the adhesion and biofilm formation of Staphylococcus epidermidis on aluminum test coupons in microgravity in an experiment conducted onboard the International Space Station (ISS). An Earth-based, gravity-impacted study was completed in parallel with the ISS experiment. The samples were then analyzed on the macroscale using photography and the microscale using confocal microscopy imaging to determine biofilm formation and bacteria attachment, respectively. The percentage of each sample covered by bacteria and/or biofilm was characterized and compared amongst the coating types and gravity exposure conditions. The TMA/SA coatings showed the lowest levels of bacteria adhesion and biofilm formation overall. The TMA/CAA coatings showed the largest reduction in bacteria adhesion and biofilm formation when comparing adhesion between the microgravity- and gravity-impacted samples. Therefore, both the copolymers demonstrate promise for bacteria-resistant coatings in microgravity.
Decomposition Reaction Mechanism of Ammonium Perchlorate on N-Doped Graphene Surfaces: A Density Functional Theory Study
Authors: Zhao Zihang , Zhang Chi , Mu Xiaogang , Li Meng , Ren Yinghui , Li Jiachen , Zhao Fengqi , Ma Haixia
Published: February 2025

The detailed decomposition pathway of ammonium perchlorate (AP) is important for the design of solid propellants containing AP. In this paper, the possible decomposition reactions of AP upon nitrogen-doped graphene (N-Gr) as a catalyst are investigated via density functional theory. The reaction pathways of HClO4 and NH3 on the N-Gr surface are explored. The decomposition reaction path of the HClO4 molecule on the N-Gr is HClO4 → ClO3− → ClO2− → ClO− → Cl−. The rate-determining step of the process is the Cl-O bond-breaking reaction of ClO2− anions, and the activation energy of the reaction is 0.849 eV. The oxidation of the N-Gr surface promotes the decomposition of both HClO4 and NH3. The OH groups produced during the decomposition process can promote the adsorption and decomposition of NH3. This work provides new insights into the decomposition of AP on N-Gr at the molecular level.
Effect of Phosphoric Acid on the Properties of Sodium Bentonite and Its Mechanism
Authors: Liu Jiandi , Meng Yanzhi , Zhang Yuze , Ji Xiangyu , Zheng Zhenhua , Wang Luyan , Guo Wenjuan , Pei Meishan
Published: February 2025

Expansive soils, widely distributed in nature, often pose challenges to construction stability due to their low unconfined compressive strength (UCS), poor shear strength, and high expansibility. This study investigates the application of phosphoric acid (H3PO4) in modifying sodium bentonite, focusing on its effects on the mechanical properties and swelling behavior of bentonite, as well as the underlying mechanisms. H3PO4 was added to bentonite at mass ratios of 1% to 8%. Compared to unmodified bentonite, the plastic index of the modified bentonite decreased by 39.9%, and the UCS value increased by 92.24% when the H3PO4 dosage was 2%. Notably, at an H3PO4 dosage of 8%, the free swelling rate of the modified bentonite decreased by 38.1% relative to the control sample, and the cohesion increased by 165.35%, indicating significant improvements in both the expansibility and bearing capacity of modified bentonite. The results on the physical and chemical properties of modified bentonite revealed an ion exchange involving hydrogen ions from H3PO4 and metal cations in sodium bentonite. The zeta potential of bentonite decreased with H3PO4 addition, reflecting a reduction in the double electric layer thickness due to hydrogen ion exchange with metal cations. This enhanced the gravitational attraction between soil particles, leading to their closer proximity and a significant increase in the UCS value of the modified soil. Additionally, the XRD results confirmed that the addition of H3PO4 facilitated the formation of a new mineral, aluminum phosphate, which is hard and insoluble, filling soil pores, contributing to its densification. This study demonstrates that H3PO4 can effectively enhance the swelling resistance and strength of sodium bentonite, offering a promising method to improve its application performance.
The Effects of Peruvian maca (Lepidium meyenii) Root Extract on In Vitro Cultured Porcine Fibroblasts and Adipocytes
Authors: Loba-Pasternak Weronika , Aksoy Mehmet Onur , Stuper-Szablewska Kinga , Szwajkowska-Michalek Lidia , Kolodziejski Pawel , Szczerbal Izabela , Nowacka-Woszuk Joanna
Published: February 2025

Peruvian maca (Lepidium meyenii) is a plant known for its nutritional and medicinal properties whose use as a supplement in animal diets has attracted much interest. We studied the effects of powdered maca root extract on the growth potential of in vitro cultured porcine cells prior to its use as an additive in animal nutrition. Fibroblast cell viability (MTT), cell proliferation (BrdU), and apoptosis level (TUNEL) were measured for a range of extract doses (0, 0.5, 1.0, 2.0, 3.0, 4.0, 5.0, 7.0, and 10 mg/mL). Transcript levels of CCND1, MCM2, and PCNA genes as molecular markers of cell proliferation were also determined. Next, the effects of maca extract at 2 and 5 mg/mL on in vitro induced adipogenesis were evaluated over eight days of differentiation. The transcript levels of three adipocyte marker genes (CEBPA, PPARG, and FABPB4) were measured at days 0, 4, and 8 of adipose differentiation, and lipid droplet accumulation (BODIPY staining) was also noted. No cytotoxic effect was detected on fibroblast cell viability, and the inhibitory concentration (IC50) value was determined to be IC50 > 10 mg/mL. Doses of maca extract above 3 mg/mL decreased cell proliferation. The transcript level decreased in concentrations above 5 for the MCM2 and PCNA genes. For the CCND1 gene, the transcript level decreased when the greatest maca dose was used. In the in vitro adipogenesis experiment, it was found that the rate of lipid droplet formation increased on day 4 of differentiation for both doses, while decreased lipid droplet formation was observed on day 8 for 5 mg/mL of maca extract. Significant changes were seen in the mRNA level for CEBPA and PPARG on days 4 and 8, while the transcript of FABP4 increased only on day 8 at 2 mg/mL dose. It can be concluded that the addition of Peruvian maca in small doses (<3 mg/mL) has no negative effect on porcine fibroblast growth or proliferation, while 2 mg/mL of maca extract enhances adipocyte differentiation.
Catalytic Hydrogenation and Heteroatom Removal for the Soluble Organics from Santanghu Bituminous Coal
Authors: Guo Jia , Zhao Guihan , Naeem Akram , Ma Yaya , Zhu Meixia , Ren Yuan , Mo Wenlong , Wei Xanyong , Fan Xing , Hao Shihao , Ali Ahmad
Published: February 2025

Soluble organics (SBC-L) from Santanghu bituminous coal (SBC) were obtained by extracting the coal with a mixed solvent of CS2 and acetone (v/v′ = 1:1). Catalytic hydrogenation of SBC-L was carried out using isopropanol as the solvent and prepared bimetallic material (Ni-Mo/γ-Al2O3) as the catalyst, and the hydrogenation product (SBC-LIP320) was obtained. Gas chromatography-mass spectrometry (GC-MS) was used to compare the difference in the composition and distribution of SBC-L and SBC-LIP320; thus, the effect of the used catalyst on the hydrogenation performance and heteroatom removal of SBC-L can be investigated. Results showed that the organic compounds in SBC-L and SBC-LIP320 could be classified into aliphatic hydrocarbons (AHS), arenes, oxygen-containing organic compounds (OCOCs), nitrogen-containing organics (NCOCs), and compounds containing other heteroatoms (OHACOCs). The relative contents of AHS and arenes detected in SBC-LIP320 were higher than those of SBC-L, while the contents of OCOCs, NCOCs, and OHACOCs decreased, and no S-containing compounds could be detected in SBC-LIP320. It can be concluded that the prepared catalyst presents good de-oxygenation, de-sulfurization, de-nitrogenation, and hydrocracking performance.
Simultaneous Determination of Six Acidic Herbicides and Metabolites in Plant Origin Matrices by QuEChERS-UPLC-MS/MS
Authors: Jin Qiqi , Xu Qianwen , Zhao Zhiyong , Si Wenshuai , Bai Bing , Chen Lei , Zhou Changyan
Published: February 2025

This study presents a method for the simultaneous determination of six acidic herbicides and their metabolites in various matrices, including fruits, vegetables, grains, and edible oils. The method employs acidified acetonitrile extraction combined with dispersive solid-phase extraction cleanup (dSPE) using MgSO4, Florisil, and Graphitized carbon black (GCB). The analysis was performed by ultra-performance liquid chromatography–tandem mass spectrometry (UPLC-MS/MS) with electrospray ionization (ESI) in both positive and negative modes using multiple reaction monitoring (MRM). The mass concentrations of six herbicide pesticides and their metabolites were predominantly within the range of 0.0005~0.050 mg/L and exhibited strong linear relationships with the corresponding peak area, with the coefficient of determination (R2) exceeding 0.993. The limits of detection (LOD) for the method ranged from 0.0001 to 0.008 mg/kg. The recovery rates of adding recovery experiments to cabbage, chives, pear, wheat flour, and soybean oil were 69.8~120%, and the relative standard deviation (RSD) was 0.6~19.5%. The results indicate that this method is efficient and fast, and can be used for the detection of compounds in various actual matrices.
Differentiation of Isomeric TAT1-CARNOSINE Peptides by Energy-Resolved Mass Spectrometry and Principal Component Analysis
Authors: Maroto Alicia , Briand Olivier , Distefano Alessia , Arioz Filiz , Monasson Olivier , Peroni Elisa , Grasso Giuseppe , Enjalbal Christine , Memboeuf Antony
Published: February 2025

L-carnosine (Car) is an endogenous dipeptide with significant potential in drug discovery for neurodegenerative diseases, while TAT1, a small arginine-rich peptide derived from the HIV-1 trans-activator protein (TAT), is known to stimulate proteasome activity. In this study, three isomeric peptides were synthesised by incorporating the Car moiety at the N-terminus, C-terminus, or central position of the TAT1 sequence. To differentiate these isomers, high-resolution and energy-resolved CID MS/MS experiments were conducted. The resulting MS/MS spectra showed a high degree of similarity among the peptides, predominantly characterised by fragment ion peaks arising from arginine-specific neutral losses. Energetic analysis was similarly inconclusive in resolving the isomers. However, Principal Component Analysis (PCA) enabled clear differentiation of the three peptides by considering the entire MS/MS spectra rather than focusing solely on precursor ion intensities or major fragment peaks. PCA loadings revealed distinct fragment ions for each peptide, albeit with lower intensities, providing insights into consecutive fragmentation patterns. Some of these specific peaks could also be attributed to scrambling during fragmentation. These results demonstrate the potential of PCA as a simple chemometric tool for semi-automated peak identification in complex MS/MS spectra.