bluuebunny/crossref_metadata_2025 huggingface dataset:
Conformational Dynamics of Mitochondrial Inorganic Pyrophosphatase hPPA2 and Its Changes Caused by Pathogenic Mutations
Authors: Bezpalaya Ekaterina , Kurilova Svetlana , Vorobyeva Nataliya , Rodina Elena
Published: January 2025

Inorganic pyrophosphatases, or PPases, are ubiquitous enzymes whose activity is necessary for a large number of biosynthetic reactions. The catalytic function of PPases is dependent on certain conformational changes that have been previously characterized based on the comparison of the crystal structures of various complexes. The current work describes the conformational dynamics of a structural model of human mitochondrial pyrophosphatase hPPA2 using molecular dynamics simulation, all-atom principal component analysis, and coarse-grained normal mode analysis. In addition to the wild-type enzyme, four mutant variants of hPPA2 were characterized that correspond to the natural pathogenic variants causing severe mitochondrial dysfunction and cardio pathologies. As a result, we identified the global type of flexible motion that seems to be shared by other dimeric PPases. This motion is discussed in terms of the allosteric behavior of the protein. Analysis of the observed conformational dynamics revealed the formation of a binding site for anionic ligands in the active site that could be relevant to enzyme catalysis. Based on the comparison of the wild-type and mutant PPases dynamics, we suggest the possible molecular mechanisms of the functional incompetence of hPPA2 caused by mutations. The results of this work allow for deeper insight into the structural basis of PPase function and the possible effects of pathogenic mutations on the protein structure and function.
Complete Sequence and Characterization of Mitochondrial and Chloroplast Genome of Navicula incerta CACC 0356
Authors: Wang Zhaokai , Wei Xiaoyu
Published: January 2025

Navicula incerta, a marine benthic diatom, holds promise for human nutrition and health as well as for aquaculture applications. However, the scarcity of organelle genome data within the Navicula clade has impeded a comprehensive understanding and utilization of this group. Our research presents a pioneering exploration into the complete mitochondrial and chloroplast genome sequences of N. incerta CACC 0356, shedding light on its phylogeny and evolutionary history. The mitochondrial genome (mtDNA) spans 61,320 bp with a GC content of 29.87%, comprising one circular DNA molecule that encodes for 34 protein-coding genes, 24 tRNAs, and 34 rRNAs. Whereas, the chloroplast genome (cpDNA) is larger at 129,090 bp, encompassing 127 protein-coding genes, 30 tRNAs, and 7 rRNAs. Notably, the cpDNA of N. incerta is approximately 2.1 times the size of its mtDNA. Our annotation identified four genes that are partially situated in the homologous regions between the mitogenome and chloroplast genome, totaling 372 bp, which represents 0.61% of the entire mitogenome. Comparative analyses revealed that N. incerta CACC 0356 is closely affiliated with Fistulifera saprophila and Fistulifera solaris, both members of the Naviculaceae order. This study significantly expands the mitochondrial and chloroplast genomic resources for algae and lays a foundation for the development of genetic diversity analyses in algae.
Advances and Mechanisms of RNA–Ligand Interaction Predictions
Authors: Zhuo Chen , Zeng Chengwei , Liu Haoquan , Wang Huiwen , Peng Yunhui , Zhao Yunjie
Published: January 2025

The diversity and complexity of RNA include sequence, secondary structure, and tertiary structure characteristics. These elements are crucial for RNA’s specific recognition of other molecules. With advancements in biotechnology, RNA–ligand structures allow researchers to utilize experimental data to uncover the mechanisms of complex interactions. However, determining the structures of these complexes experimentally can be technically challenging and often results in low-resolution data. Many machine learning computational approaches have recently emerged to learn multiscale-level RNA features to predict the interactions. Predicting interactions remains an unexplored area. Therefore, studying RNA–ligand interactions is essential for understanding biological processes. In this review, we analyze the interaction characteristics of RNA–ligand complexes by examining RNA’s sequence, secondary structure, and tertiary structure. Our goal is to clarify how RNA specifically recognizes ligands. Additionally, we systematically discuss advancements in computational methods for predicting interactions and to guide future research directions. We aim to inspire the creation of more reliable RNA–ligand interaction prediction tools.
The Impact of Digital Technology, Automation, and Data Integration on Supply Chain Performance: Exploring the Moderating Role of Digital Transformation
Authors: Atieh Ahmad Ali , Abu Hussein Alhareth , Al-Jaghoub Saheer , Alheet Ahmad Fathi , Attiany Murad
Published: January 2025

Background: This study investigates digital transformation as a moderating variable in determining the effect of digital technologies, automation, and data integration of upstream and downstream providers on supply chain performance. By filling the existing research gap, the study reveals that more research regarding how digital transformation interventions impact the effectiveness of these technologies for industrial supply chains must be understood. Methods: A structured survey was applied to 181 supply chain managers in manufacturing firms scattered across Jordan. Results: The findings using SmartPLS for statistical analysis indicated that automation has the strongest positive effect on supply chain performance, followed by data integration. But digital technology did not have a significant direct effect, unless it was accompanied by broader digital transformation initiatives. Conclusions: Theoretically, this study reinforces digital transformation theory as a vital framework, whereas in practice, it invokes the strategic deployment of automation and integrated data application designs to underpin supply chain efficiency and competitiveness. Finally, this study offers practical guidance for practitioners who seek to employ the use of digital transformation in the current dynamic business environment.
Controlling the Dissolution Behavior of (Meth)acrylate-Based Photoresist Polymers in Tetramethylammonium Hydroxide by Introducing Adamantyl Groups
Authors: Kim Jinyoung , Lee Choong-Jae , Lee Dong-Gun , Lee Geon-Ho , Hyeon Jayoung , Choi Yura , Cho Namchul
Published: January 2025

(Meth)acrylate polymers are commonly used as photoresist materials in photolithography. However, these polymers encounter the problem of swelling during the development process. To address this, we explored the use of a hydrophobic group to control the solubility in the hydrophilic developer. In this study, we synthesized two types of polymers to evaluate the impact of the developer on (meth)acrylate polymers for photoresist applications. Adamantyl methacrylate (AdMA) was selected as the hydrophobic group, while 2-ethoxyethyl acrylate (2-EEA) served as the hydrophilic group, enabling the synthesis of both hydrophilic and hydrophobic polymers. Our goal was to assess how the presence of adamantyl monomers influenced the solubility of the polymer. This study demonstrated that solubility was primarily influenced by functional groups, particularly hydrophobic groups, rather than other factors. Polymers with more than 50% hydrophobic groups can be effectively controlled for their solubility in TMAH. These findings show that the solubility of photoresist polymers in TMAH can be tuned by incorporating a high proportion of hydrophobic groups. The study further confirms the role of adamantyl monomers as effective hydrophobic (aliphatic) groups in modulating the solubility of (meth)acrylate polymers in developer solutions.
Accurate Sum and Dot Product with New Instruction for High-Precision Computing on ARMv8 Processor
Authors: Xie Kaisen , Lu Qingfeng , Jiang Hao , Wang Hongxia
Published: January 2025

The accumulation of rounding errors can lead to unreliable results. Therefore, accurate and efficient algorithms are required. A processor from the ARMv8 architecture has introduced new instructions for high-precision computation. We have redesigned and implemented accurate summation and the accurate dot product. The number of floating-point operations has been reduced from 7n−5 and 10n−5 to 4n−2 and 7n−2, compared with the classic compensated precision algorithms. It has been proven that our accurate summation and dot algorithms’ error bounds are γn−1γncond+u and γnγn+1cond+u, where ‘cond’ denotes the condition number, γn=n·u/(1−n·u), and u denotes the relative rounding error unit. Our accurate summation and dot product achieved a 1.69× speedup and a 1.14× speedup, respectively, on a simulation platform. Numerical experiments also illustrate that, under round-towards-zero mode, our algorithms are as accurate as the classic compensated precision algorithms.
Metrologically Interpretable Soft-Sensing Technique for Non-Invasive Liquid Flow Estimation from Vibration Data
Authors: Thaler Gabriel , Machado João P. Z. , Flesch Rodolfo C. C. , Pacheco Antonio L. S.
Published: January 2025

This paper proposes a metrologically interpretable soft sensing method for estimating the liquid flow rates in hydraulic systems from non-invasive vibration frequency power band data. Despite considerable interest in non-invasive flow estimation, state-of-the-art methods provide little to no metrological capabilities. In this work, a dedicated test rig was developed to automatically acquire vibration and flow rate data from a centrifugal pump, in a flow rate range between 0.05 × 10−5m3/s and 9.11 × 10−5m3/s. The vibration data were processed into power bands, which were subsequently used to optimize and train a multilayer perceptron neural network for flow soft sensing. The trained model was compared with models with different vibration processing methods from literature. The power band processing model resulted in a root mean squared error 75.4% smaller than the second-best model in cross-validation, and 51.5% smaller with test data. The uncertainty of the proposed regression model was estimated using a combination of ensemble learning and Monte Carlo simulations, and combined with the reference flow sensor uncertainty to obtain the total combined uncertainty of the soft sensor, found to be between 3.9 × 10−6m3/s and 6.1 × 10−6m3/s throughout the measured flow range. The reference flow sensor accuracy was found to be the largest individual contribution for the final uncertainty, closely followed by the regression model uncertainty.
Virulence of Bacteria Causing Mastitis in Dairy Cows: A Literature Review
Authors: Tong Xiaofang , Barkema Herman W. , Nobrega Diego B. , Xu Chuang , Han Bo , Zhang Chenyibo , Yang Jingyue , Li Xiaoping , Gao Jian
Published: January 2025

Bovine mastitis, a prevalent disease in dairy farms, exerts a profound negative influence on both the health and productivity of dairy cattle, leading to substantial economic losses for the dairy industry. The disease is associated with different bacterial agents, primarily Gram-positive cocci (e.g., Staphylococcus spp., Streptococcus spp.) and Gram-negative bacilli (e.g., Escherichia coli, Klebsiella pneumoniae). These pathogens induce mastitis through diverse mechanisms, intricately linked to the virulence factors they carry. Despite previous research on the virulence factors of mastitis-causing bacteria in dairy cattle, there remains a significant gap in our comprehensive understanding of these factors. To bridge these gaps, this manuscript reviews and compiles research on the virulence factors of these pathogens, focusing on their roles in mammary tissue infection, immune evasion, adherence to mammary epithelial cells, and invasion and colonization of the mammary gland. These processes are analyzed in depth to provide a comprehensive framework to promote a deeper understanding of dairy pathogenic bacteria and their pathogenic mechanisms and to provide new insights into the control of mastitis in dairy cattle.
Enhanced MICP for Soil Improvement and Heavy Metal Remediation: Insights from Landfill Leachate-Derived Ureolytic Bacterial Consortium
Authors: Omoregie Armstrong Ighodalo , Kan Fock-Kui , Basri Hazlami Fikri , Silini Muhammad Oliver Ensor , Rajasekar Adharsh
Published: January 2025

This study investigates the potential of microbial-induced calcium carbonate precipitation (MICP) for soil stabilization and heavy metal immobilization, utilizing landfill leachate-derived ureolytic consortium. Experimental conditions identified yeast extract-based media as most effective for bacterial growth, urease activity, and calcite formation compared to nutrient broth and brown sugar media. Optimal MICP conditions, at pH 8–9 and 30 °C, supported the most efficient biomineralization. The process facilitated the removal of Cd2+ (99.10%) and Ni2+ (78.33%) while producing stable calcite crystals that enhanced soil strength. Thermal analyses (thermogravimetric analysis (TGA) and differential scanning calorimetry (DSC)) confirmed the successful production of CaCO3 and its role in improving soil stability. DSC analysis revealed endothermic and exothermic peaks, including a significant exothermic peak at 444 °C, corresponding to the thermal decomposition of CaCO3 into CO2 and CaO, confirming calcite formation. TGA results showed steady weight loss, consistent with the breakdown of CaCO3, supporting the formation of stable carbonates. The MICP treatment significantly increased soil strength, with the highest surface strength observed at 440 psi, correlating with the highest CaCO3 content (18.83%). These findings underscore the effectiveness of MICP in soil stabilization, pollutant removal, and improving geotechnical properties.
A New CDM-Based Approach for the Nonlinear Numerical Structural Analysis of Flax Fiber Reinforced Plastic
Authors: Svidler Rostislav , Rinberg Roman , Mueller Sascha , Kroll Lothar
Published: January 2025

Fibre-reinforced polymers based on natural fibers, such as flax fibers, exhibit pronounced nonlinear orthotropic material behavior. This presents a significant challenge in finite element analysis (FEA) simulations, as the nonlinear constitutive models available in commercial FEA tools are difficult to apply and fail to capture all the material’s specific characteristics. Relying on initial or reduced secant moduli in linear quasi-static analyses of deformations or stress states can result in inaccurate outcomes and overly optimistic strength predictions, particularly in compression-dominated cases. However, with appropriate modifications, classical laminate theory (CLT) can be adapted for nonlinear analysis. This involves iteratively updating the components of the stiffness matrix for the unidirectional (UD) ply during the calculation process based on the current strain state and stress interactions. This study presents and discusses a computational algorithm for the FEA software ABAQUS/CAE 2019, which incorporates material-related orthotropic nonlinearities and stress-dependent interactions within the CLT framework. The algorithm represents a single-scale material model at the meso level (UD ply) and is based on the concept of orthotropic elasto-damage within the framework of continuum damage mechanics (CDM) theory. Numerical implementation is achieved through a user-defined field (USDFLD) subroutine, accompanied by a pre-processing Python script for managing experimental data, computing data fields, and calculating parameters. As shown below, this type of implementation appears justified compared to a user material subroutine (UMAT) subroutine in terms of computational efficiency and practicality.
Effect of Thermal Treatment on the Extraction and Antioxidant and Antiglycation Activities of (Poly)phenols from Ribes magellanicum
Authors: Ávila Felipe , Martinez Natalia , Mora Nicolás , Márquez Katherine , Jiménez-Aspee Felipe
Published: January 2025

Phenolic compounds have antiglycation activity, but the changes occurring during thermal treatment (TT) in these activities are not completely understood. The effects of the extraction conditions of (poly)phenols from Ribes magellanicum fruits, before and after TT, on their antioxidant and antiglycation effects were assessed. (Poly)phenol-enriched extracts (PEEs) from raw and TT (90 °C, 1 h) Ribes magellanicum were extracted using three solvent mixtures (ethanol/water/acetic acid) with increasing water content (0, 24, and 49%) and three solvent-to-solid ratios (5, 10, and 20 mL/g). PEEs of raw samples showed increased values of total (poly)phenols (TPC), TEAC, and FRAP and decreased IC50 values of fluorescent advanced glycation end products (AGEs) with increasing water content. An increase in TPC and FRAP values was observed for TT samples, but an increase in the IC50 values of fluorescent AGEs for PEEs with increasing water content was observed. Antiglycation activity (IC50 raw/IC50 TT) depended on the solvent-to-solid ratio and the extracting solvent. HPLC-DAD-MS analysis of raw and TT samples showed degradation of anthocyanins, flavonoid fragmentation, and oxidation as the main changes in the phenolic composition of TT samples. We show that TT affects the (poly)phenolic composition of R. magellanicum, producing a decrease in the antiglycation activity when extractions are performed with increasing water content, despite increasing TPC and FRAP activity.
The Role of Polarizability in Isoelectronic Ions: The Case of Pseudohalides
Authors: Acar Mert , Tatini Duccio , Ninham Barry W. , Lo Nostro Pierandrea
Published: January 2025

Specific ion effects are widespread and have been studied for over a century, yet they remain poorly understood. Terms like “kosmotropes” and “chaotropes” are convenient rules of thumb but the frequent reversal of the Hofmeister series implies their limitations. Polarizability is often used to classify ions, with kosmotropes considered low in polarizability and chaotropes high. However, for polyatomic ions, this framework becomes misleading. The anisotropic nature of polarizability in polyatomic ions plays a decisive role in shaping their behavior. In this work, we study pseudohalides (KOCN, KSCN, and KSeCN) aqueous solutions to explore these effects. We evaluate properties of these anions through experimental measurements of conductivity, density, viscosity, infrared spectra, and polarizability. Our results demonstrate that, even for linear isoelectronic polyatomic ions, the anisotropy of polarizability governs their hydration behavior.
Green Chemistry Within the Circular Bioeconomy to Harness Chestnut Burr Extract’s Synergistic Antimicrobial Activity Against Helicobacter pylori
Authors: Schiavone Maria Lucia , Barletta Roberta , Trezza Alfonso , Geminiani Michela , Millucci Lia , Figura Natale , Santucci Annalisa
Published: January 2025

Green chemistry principles are pivotal in driving sustainable and innovative solutions to global health challenges. This study explores a hydroalcoholic extract from Castanea sativa (chestnut) burrs, an underutilized natural resource, as a potent source of antimicrobial compounds against Helicobacter pylori (H. pylori). The extract demonstrated significant bactericidal activity, synergizing effectively with clarithromycin and showing additive effects with metronidazole. Remarkably, combining the extract with clarithromycin and sub-inhibitory concentrations of pantoprazole reduced clarithromycin’s Minimum Bactericidal Concentration (MBC) to just 1.56% of its original value. Mechanistic studies suggest that the extract’s polyphenolic compounds compromise bacterial membrane integrity, enhancing antibiotic uptake, while pantoprazole disrupts bacterial ATPase activity. This research highlights the critical role of natural product extraction within the framework of green chemistry, offering a sustainable and environmentally friendly alternative to synthetic antimicrobials. By harnessing bioactive compounds from plant sources, this approach addresses the pressing issue of antibiotic resistance while promoting the responsible use of natural resources. The findings underscore the transformative potential of green chemistry in developing effective, eco-conscious antimicrobial therapies that align with global sustainability goals.
A Study on the Mechanism of Cellulose Nanocrystals to Enhance the Stability of Hydrophobic Phthalocyanine Green in Water and the Functional Characteristics of Colour Pastes
Authors: Lu Junliang , Xu Jun , Zhou Ziyong , Zhang Zhaohui , Li Jun , Zhang Wei , Chen Kefu
Published: January 2025

Cellulose nanocrystals (CNCs) prepared by sulfuric acid hydrolysis were added to phthalocyanine green colour pastes with a surfactant to improve stability. The particle size, zeta potential, absorbance, and microstructure of the colour pastes were analyzed and characterized. The mechanism of CNCs to enhance the stability of hydrophobic phthalocyanine green in water was investigated. The functionalized application of the colour pastes was explored by mixing colour pastes with coating-forming substances to prepare phthalocyanine green paint. The results show that CNCs could enhance the stability of phthalocyanine green in water and form a binary system with non-ionic surfactants in colour pastes. The system could make phthalocyanine green colour pastes have very good dispersion and stability and mix well with coating-forming substances. The phthalocyanine green paint had excellent performance. As a renewable and naturally degradable biomass resource, CNCs have the potential to be applied for the dispersion and stabilization of hydrophobic pigments by compounding with surfactants.
Fibroin-Hybrid Systems: Current Advances in Biomedical Applications
Authors: Maia Matheus Valentin , Egito Eryvaldo Sócrates Tabosa do , Sapin-Minet Anne , Viana Daniel Bragança , Kakkar Ashok , Soares Daniel Crístian Ferreira
Published: January 2025

Fibroin, a protein extracted from silk, offers advantageous properties such as non-immunogenicity, biocompatibility, and ease of surface modification, which have been widely utilized for a variety of biomedical applications. However, in vivo studies have revealed critical challenges, including rapid enzymatic degradation and limited stability. To widen the scope of this natural biomacromolecule, the grafting of polymers onto the protein surface has been advanced as a platform to enhance protein stability and develop smart conjugates. This review article brings into focus applications of fibroin-hybrid systems prepared using chemical modification of the protein with polymers and inorganic compounds. A selection of recent preclinical evaluations of these hybrids is included to highlight the significance of this approach.
Hydrogen-Bonded Di(hydroperoxy)alkane Adducts of the Type Cy3P=O·(HOO)2CHR (R = Alkyl)
Authors: Ashirov Rahym , Todorovic Maya , Bhuvanesh Nattamai , Blümel Janet
Published: January 2025

Five representatives of a novel type of di(hydroperoxy)alkane adducts of phosphine oxides have been synthesized and fully characterized, including their solubility in organic solvents. The phosphine oxide Cy3PO (1) has been used in combination with the corresponding aldehydes to create the adducts Cy3PO·(HOO)2CHCH3 (2), Cy3PO·(HOO)2CHCH2CH3 (3), Cy3PO·(HOO)2CH(CH2)2CH3 (4), Cy3PO·(HOO)2CH(CH2)3CH3 (5), and Cy3PO·(HOO)2CH(CH2)7CH3 (6). All adducts crystallize easily and contain the peroxide and phosphine oxide hydrogen-bonded in 1:1 ratios. The single crystal X-ray structures of 2–6 and their unique features are discussed. The 31P NMR spectra of the adducts 2–6 show downfield-shifted signals as compared to Cy3PO. In the IR spectra, the ν(P=O) wavenumbers of the adducts have smaller values than the neat phosphine oxide. All spectroscopic results of 2–6 show that the P=O bond is weakened by hydrogen-bonding to the di(hydroperoxy)alkane moieties. Adduct 6 selectively oxidizes PPh3 to OPPh3 within minutes, and nonanal is reformed in the process. The easy synthesis, handling, and administration of these stable, solid, and soluble peroxides with well-defined composition will have a positive impact on synthetic chemistry.
In Silico Prediction of Maize microRNA as a Xanthine Oxidase Inhibitor: A New Approach to Treating Hyperuricemia Patients
Authors: Joshi Manas , Khan Mohd Mabood
Published: January 2025

Introduction: Hyperuricemia is characterized by increased uric acid (UA) in the body. The ability to block xanthine oxidase (XO) is a useful way to check how different bioactive molecules affect hyperuricemia. Previous reports showed the significant effect of corn against hyperuricemia disorder with its anti-XO activity. The identification of stable Zea mays miRNA (zma-miR) in humans has opened up a new avenue for speculation about its part in regulating novel human gene targets. Aims: The aim of this study was to investigate the prospects of zma-miRs in XO gene regulation, the possible mechanism, and the interaction analysis of the zma-miR-XO mRNA transcript. Method: Significant features of miRNA-mRNA interaction were revealed using two popular miRNA target prediction software—intaRNA (version 3.3.1) and RNA hybrid (version 2.2.1) Results: Only 12 zma-miR-156 variants, out of the 325 zma-miR’s sequences reported in the miRNA database, efficiently interact with the 3′UTR of the XO gene. Characteristics of miRNA-mRNA interaction were as follows: the positioning of zma-miR-156 variants shows that they all have the same 11-mer binding sites, guanine (G), and uracil (U) loops at the 13th and 14th positions from the 5′ end, and no G: U wobble pairing. These factors are related to the inhibition of functional mRNA expression. Additionally, the zma-miR-156 variants exhibit a single-base variation (SBV), which leads to distinct yet highly effective alterations in their interaction pattern with the XO mRNA transcript and the corresponding free energy values. Conclusion: Therefore, we propose that zma-miR-156 variants may be a promising new bioactive compound against hyperuricemia and related diseases.
Trends and Disparities in Parkinson’s Disease Mortality in the United States with Predictions Using Machine Learning
Authors: Weresh Henry , Hermann Kallin , Al-Salahat Ali , Noor Amna , Billion Taylor , Chen Yu-Ting , Tauseef Abubakar , Abdul Jabbar Ali Bin
Published: January 2025

Background: Parkinson’s disease (PD) is a progressive neurodegenerative condition characterized by the degradation of dopaminergic pathways in the brain. As the population in the United States continues to age, it is essential to understand the trends in mortality related to PD. This analysis of PD’s mortality characterizes temporal shifts, examines demographic and regional differences, and provides machine-learning predictions. Methods: PD-related deaths in the United States were gathered from CDC WONDER. Age-adjusted mortality rates (AAMR) were collected, and trends were analyzed based on gender, race, region, age, and place of death. Annual percent change and average annual percent change were calculated using Joinpoint Regression program. Forecasts were obtained using the optimal Autoregressive Integrated Moving Average (ARIMA) model. Results: Overall mortality rate due to Parkinson’s increased from 1999 to 2022. Male gender, White race, Southern region, and older ages were associated with higher mortality compared to other groups. Deaths at home decreased and hospice deaths increased during the study period. Conclusions: This study highlights the increasing rate of PD AAMR and how it may become even more prevalent with time, emphasizing the value of increasing knowledge surrounding the disease and its trends to better prepare health systems and individual families for the burden of PD.
Cost Associated with Adherence to the EAT-Lancet Score in Brazil
Authors: Caldeira Thaís Cristina Marquezine , Nassif Laura , Sousa Taciana Maia de , Maia Emanuella Gomes , Fagioli Henrique Bracarense , Canella Daniela Silva , Claro Rafael Moreira
Published: January 2025

Background/Objectives: Food prices are a crucial factor in food choices, especially for more vulnerable populations. To estimate the association between diet cost and quality, as measured by the EAT-Lancet score, across demographic groups in Brazil. Methods: Data from the 2017/18 Household Budget Survey were used to calculate the EAT-Lancet score, comprising 14 components. Scores ranged from 0 (low adherence) to 42 (high adherence), with emphasized components (e.g., vegetables, fruits, legumes) and limited components (e.g., red meat, sugar, eggs). Results were stratified by per capita income, geographic region, and area of residence and compared using linear regression adjusted for high and low costs. In addition, the association between the EAT-Lancet score (and its emphasized and limited components) and diet cost (continuous) was analyzed for the total population and for income tertiles. Results: The mean EAT-Lancet score was 18.65 points (range: 7 to 25) and the mean diet cost was BRL$0.65/100 kcal. Total scores showed no significant difference between low- and high-cost diets. However, limited intake was more pronounced in low-cost diets, while high-cost diets featured emphasized foods such as fruits, vegetables, and seafood. High-cost diets also included sugars and red meat, while unsaturated fats scored higher in low-cost diets. Each one-point increase in the EAT-Lancet score was associated with a BRL$0.38 reduction in cost, driven by lower costs in the Limited component, especially among the lowest-income strata (reductions of BRL$1.58 and BRL$1.55 in the lowest income and middle income tertiles, respectively). However, higher scores for emphasized foods increased costs (BRL$0.89) in the lowest tertile. Conclusions: Higher EAT-Lancet scores were associated with reduced diet costs, likely influenced by the lower Limited component costs in low-income groups. Emphasized foods, however, tended to increase costs, particularly among the lowest-income group. These findings suggest that the role of diet composition plays a significant role in cost differences and underscore the challenges that low-income groups face in accessing affordable, healthy diets.
Screening Wild Birds for Tick-Borne Zoonotic Pathogens in Portugal
Authors: Loureiro Filipa , Mesquita João R. , Cardoso Luís , Santos-Silva Sérgio , Moreira Guilherme , Bento Jaqueline T. , Soeiro Vanessa , Gonçalves Andreia , Silva Filipe , Barradas Patrícia F. , Matos Ana C. , Matos Manuela , Coelho Ana Cláudia
Published: January 2025

Wild birds may be involved in the transmission of agents of infectious diseases, including zoonoses, a circumstance which raises a number of public and animal health issues. Migratory bird species play a significant role in the introduction of tick-borne pathogens to new geographic areas, contributing to the dissemination of various etiological agents. This preliminary study aimed to assess the occurrence of four potentially zoonotic pathogens (Hepatozoon spp., Borrelia spp., Babesia spp. and Theileria spp.) in the wild birds of Portugal. Blood and tissue samples were taken from 103 birds admitted at wildlife rehabilitation centers. Through the use of conventional PCR, our findings indicate no evidence of the circulation of these pathogens among the studied bird populations in the region. In the One Health context, it is relevant to understand how faraway avian populations play a role in the epidemiology of infectious diseases. Further molecular studies are needed to deepen the knowledge of avian piroplasmosis, borreliosis and hepatozoonosis.
Protective Effects of Phycobiliproteins from Arthrospira maxima (Spirulina) Against Cyclophosphamide-Induced Embryotoxicity and Genotoxicity in Pregnant CD1 Mice
Authors: García-Martínez Yuliana , Razo-Estrada Amparo Celene , Pérez-Pastén-Borja Ricardo , Galván-Colorado Candelaria , Chamorro-Cevallos Germán , Chanona-Pérez José Jorge , López-Canales Oscar Alberto , Islas-Flores Hariz , Pérez-Gutiérrez Salud , Cordero-Martínez Joaquín , Cristóbal-Luna José Melesio
Published: January 2025

Background/Objectives: In recent years the global incidence of cancer during pregnancy is rising, occurring in 1 out of every 1000 pregnancies. In this regard, the most used chemotherapy drugs to treat cancer are alkylating agents such as cyclophosphamide (Cp). Despite its great efficacy, has been associated with the production of oxidative stress and DNA damage, leading to embryotoxicity, genotoxicity, and teratogenicity in the developing conceptus. Therefore, this study aimed to investigate the protective role of phycobiliproteins (PBP) derived from Arthrospira maxima (spirulina) in reducing Cp-induced embryotoxicity and genotoxicity in pregnant CD1 mice. Methods: Pregnant CD1 mice were divided into five groups: control, Cp 20 mg/kg, and three doses of PBP (50, 100, and 200 mg/kg) + Cp co-treatment. PBP were administered orally from day 6 to 10.5 dpc, followed by a single intraperitoneal dose of Cp on 10.5 dpc. Embryos were collected at 12.5 dpc to assess morphological development and vascular alterations, while maternal DNA damage was evaluated using micronucleus assays and antioxidant enzyme activity in maternal plasma. Results: PBP exhibited a dose-dependent protective effect against Cp-induced damage. The 200 mg/kg PBP dose significantly reduced developmental abnormalities, micronucleated polychromatic erythrocytes, and oxidative stress, (as evidenced by increased SOD and GPx activity). Conclusions: Phycobiliproteins from Arthrospira maxima (spirulina) effectively reduced Cp-induced morphological and vascular alterations in embryos and genotoxicity in pregnant mice. These findings highlight their potential as a complementary therapy to mitigate teratogenic risks during chemotherapy. Further research is needed to optimize dosing and explore clinical applications.
Revisiting ABC Transporters and Their Clinical Significance in Glioblastoma
Authors: Phon Brandon Wee Siang , Chelliah Shalini Sundramurthi , Osman Dina El-Rabie , Bhuvanendran Saatheeyavaane , Radhakrishnan Ammu Kutty , Kamarudin Muhamad Noor Alfarizal
Published: January 2025

Background: The multiple drug-resistant phenomenon has long since plagued the effectiveness of various chemotherapies used in the treatment of patients with glioblastoma (GBM), which is still incurable to this day. ATP-binding cassette (ABC) transporters function as drug transporters and have been touted to be the main culprits in developing resistance to xenobiotic drugs in GBM. Methods: This review systematically analyzed the efficacy of ABC transporters against various anticancer drugs from 16 studies identified from five databases (PubMed, Medline, Embase, Scopus, and ScienceDirect). Results: Inhibition of ABC transporters, especially ABCB1, improved drug efficacies. Staple GBM phenotypes, such as GBM stem cells and increased activation of the PI3K/Akt/NF-κB pathway, have been implicated in the expression of several ABC transporters. Using the datasets in The Cancer Genome Atlas and Gene Expression Omnibus, we found upregulated ABC transporters that either negatively impacted survival in univariate analyses (ABCA1, ABCA13, ABCB9, ABCD4) or were independent negative prognosis factors for patients with GBM (ABCA13, ABCB9). Our multivariate analysis further demonstrated three ABC transporters, ABCA13 (Hazard Ratio (HR) = 1.31, p = 0.017), ABCB9 (HR = 1.26, p = 0.03), and ABCB5 (HR = 0.77, p = 0.016), with the administration of alkylating agents (HR = 0.41, p < 0.001), were independent negative prognosis factors for patients with GBM. Conclusions: These findings reinforce the important role played by ABC transporters, particularly by ABCA13, ABCB9, and ABCB1, which could be potential targets that warrant further evaluations for alternate strategies to augment the effects of existing alkylating agents and xenobiotic drugs.
Unveiling the Phytochemical Diversity and Bioactivity of Astragalus melanophrurius: A First Report Integrating Experimental and In Silico Approaches
Authors: Gencer Gulcan , Sarikurkcu Cengiz , Tepe Bektas
Published: January 2025

Background: The genus Astragalus is renowned for its diverse bioactive potential, yet the chemical composition and biological properties of Astragalus melanophrurius remain inadequately explored. This study aimed to investigate the chemical profile, antioxidant capacity, and enzyme inhibitory activities of methanol extracts from various plant parts of A. melanophrurius. Methods: Methanol extracts were obtained from leaves, stems, flowers, roots, and aerial portions of A. melanophrurius. The chemical composition was determined using LC–ESI–MS/MS, focusing on key phytochemicals such as hyperoside, kaempferol, 4-hydroxybenzoic acid, and chlorogenic acid. Antioxidant activities were assessed via DPPH, ABTS, and FRAP assays, while enzyme inhibitory activities were evaluated against α-amylase and tyrosinase. In silico molecular docking analyses were conducted to explore the interactions between major compounds and target enzymes. Results: The leaf extract exhibited the highest total phenolic and flavonoid contents, correlating with superior antioxidant activities, achieving IC50 values of 16.55 mg/mL, 4.58 mg/mL, and 3.07 mg/mL in DPPH, ABTS, and FRAP assays, respectively. The root extract demonstrated notable α-amylase (IC50 = 2.99 mg/mL) and tyrosinase (IC50 = 1.34 mg/mL) inhibitory activities, suggesting potential applications in diabetes and hyperpigmentation management. Molecular docking revealed stable complexes of hyperoside and kaempferol with target enzymes, supporting their roles in observed bioactivities. Conclusions: This study highlights the bioactivity of A. melanophrurius extracts, particularly from leaves and roots, supporting their therapeutic potential. Future research should focus on isolating active compounds and conducting in vivo studies to confirm efficacy and elucidate mechanisms of action.
High-Energy Burst-Mode 3.5 μm MIR KTA-OPO
Authors: Guo Haowen , Jia Chunyan , Ye Shuai , Yao Yongping , Ma Tiejun , Zhang Jiayu , Bai Meng , Xia Jinbao , Nie Hongkun , Yao Bo , He Jingliang , Zhang Baitao
Published: January 2025

In this paper, a high energy 3.5 μm mid-infrared (MIR) burst-mode KTA optical parametric oscillator (OPO) was demonstrated. Utilizing a quasi-continuous wave (QCW) laser diode (LD) side-pump module and electro-optic (EO) Q-switching technique, a high beam quality 1064 nm burst-mode laser was achieved as the fundamental source, generating 30 mJ high-energy pulses at burst repetition rates of 100 Hz and 200 Hz with sub-burst repetition rates of 20 kHz, 40 kHz, and 50 kHz. The KTA-OPO produced a 3.5 μm MIR burst-mode laser output with 4 to 11 sub-pulses per pulse envelope. The output energies were 2.9 mJ, 2.81 mJ, and 2.79 mJ at 100 Hz, as well as 2.8 mJ, 2.75 mJ, and 2.72 mJ at 200 Hz, with corresponding conversion efficiencies of 9.6%, 9.3%, and 9.3% at 100 Hz, as well as 9.3%, 9.2%, and 9.1% at 200 Hz, respectively. Our results pave a new way for generating burst-mode MIR lasers.
The Status of Wild Grapevine (Vitis vinifera L. subsp. sylvestris (C.C. Gmel.) Hegi) Populations in Georgia (South Caucasus)
Authors: Cola Gabriele , De Lorenzis Gabriella , Failla Osvaldo , Kvaliashvili Nikoloz , Kikilashvili Shengeli , Kikvadze Maia , Mamasakhlisashvili Londa , Mdinaradze Irma , Chipashvili Ramaz , Maghradze David
Published: January 2025

Repeated expeditions across various regions of Georgia in the early 2000s led to the identification of 434 wild grapevine individuals (Vitis vinifera L. subsp. sylvestris (C.C. Gmel.) Hegi) across 127 different sites, with 45% of these sites containing only a single vine and only 7% more than 9 vines. A total of 70 accessions were propagated in a germplasm collection, 41 of them were descripted from the ampelographic point of view and 32 from the phenological one. The geographical and ecological analysis confirmed that wild grapevines primarily grow in humid environments with warm and fully humid climates, often near rivers. They favor deep, fertile, and evolved soils, mainly alluvial and cinnamonic types (80%), with a marginal presence on strongly eroded soils. Their main natural vegetations are forests and open woodlands, with some individuals in the Southeast found in steppes. The altitudinal range spans from 0 to 1200 m, with 80% of vines distributed between 400 and 900 m. The phenological analysis revealed significant differences among the accessions but no difference among populations, with only a slight variation in bud-break timing, indicating a high level of synchronicity overall. Flowering timing proved to be the most uniform stage, suggesting minimal environmental pressure on genetic adaptation. The mature leaf morphology exhibited significant polymorphism, though leaves were generally three- or five-lobed, weak-wrinkling, and -blistering, with a low density of hairs. Bunch and berry morphology were more uniform. Bunches were consistently very small, cylindrical, and never dense or winged. Berries were also very small, mostly globular, always blue-black in color, and non-aromatic. A striking feature was the frequency of red flesh coloration, which ranged from weak to strong, with uncolored flesh being rare. The Georgian population of wild grapevines was found to be fragmented, often consisting of scattered single individuals or small groups. Therefore, we believe it is urgent for Georgia to implement specific protection measures to preserve this vital genetic resource.
Active Polylactide-poly(ethylene glycol) Films Loaded with Olive Leaf Extract for Food Packaging—Antibacterial Activity, Surface, Thermal and Mechanical Evaluation
Authors: Grabska-Zielińska Sylwia , Olewnik-Kruszkowska Ewa , Gierszewska Magdalena , Bouaziz Mohamed , Wekwejt Marcin , Pałubicka Anna , Żywicka Anna , Kaczmarek-Szczepańska Beata
Published: January 2025

As the demand for sustainable and innovative solutions in food packaging continues to grow, this study endeavors to introduce a comprehensive exploration of novel active materials. Specifically, we focus on characterizing polylactide-poly(ethylene glycol) (PLA/PEG) films filled with olive leaf extract (OLE; Olea europaea) obtained via solvent evaporation. Examined properties include surface structure, thermal degradation and mechanical attributes, as well as antibacterial activity. The results indicated a significant impact of the incorporation of OLE into this polymeric matrix, increasing hydrophobicity, decreasing surface free energy, and enhancing surface roughness, albeit with slight reductions in mechanical properties. Notably, these modified materials exhibited significant bacteriostatic, bactericidal and anti-adhesive activity against both Staphylococcus aureus and Escherichia coli. Consequently, PLA/PEG/OLE films demonstrated considerable potential for advanced food packaging, facilitating interactions between products and their environment. This capability ensures the preservation and extension of food shelf life, safeguards against microbial contamination, and maintains the overall quality, safety, and integrity of the packaged food. These findings suggest potential pathways for developing more sustainable and effective food packaging films.
Heat Enhancement of Ethylene Glycol/Water Mixture in the Presence of Gyroid TPMS Structure: Experimental and Numerical Comparison
Authors: Saghir Mohamad Ziad , Yahya Mohamad , Ortiz Pedro D. , Impellizzeri Stefania , Al-Ketan Oraib
Published: January 2025

Cooling small components is becoming an attractive topic for researchers. In this paper, an attempt is made to use an ethylene glycol/water mixture as a cooling liquid. This liquid is a helpful application for when the fluid is in a harsh environment and should not freeze. The experiment uses an ethylene glycol/water mixture circulating through a triply periodic minimal surface structure (TPMS) made of aluminum and silver. A constant heat flux equal to 38,000 W/m2 is applied, and three different flow rates, 11.8 cm3/s, 15.5 cm3/s, and 19.6 cm3/s, are studied. The experimental setup is complemented with numerical modelling by solving the Navier–Stokes equation and the energy equation using the finite element technique. The flow is Newtonian, and a laminar regime is implemented. Results reveal that the performance of the ethylene glycol/water mixture did not enhance heat removal when compared to water. The average Nusselt number is similar regardless of the concentration of ethylene glycol in the mixture. This average Nusselt number, Nuaverage, in the presence of aluminum TPMS ranges between 60 and 80 (60 < Nuaverage < 80) and between 65 and 85 (65 < Nuaverage < 85) using silver TPMS. The increase in the mixture’s viscosity due to ethylene glycol increased the pressure drop. The performance evaluation criteria reach the maximum value of 90 when the mixture is composed of 5%vol ethylene glycol in water with aluminum TPMS. In the presence of silver TPMS, the maximum performance evaluation criterion is around 95 with a 5% ethylene glycol/water mixture. Finally, it is proven experimentally and confirmed numerically that the TPMS structure secures uniform heat extraction from the hot surface.
4,4′,4″-Tris(Diphenylamino)Triphenylamine: A Compatible Anion Host in Commercial Li-Ion Electrolyte for Dual-Ion Batteries
Authors: Che Jiulong , Zhang Jian , Lang Qing , Yu Jiayuan , Yang Yixiao , Luo Longqi , Liu Zhiyi , Ye Jiahui , Wang Gang
Published: January 2025

Dual-ion batteries (DIBs) were demonstrated as a promising technology for large-scale energy storage due to their low cost, recyclability, and impressively fast charge capability. Graphite as a commonly used cathode material in DIBs, however, suffers from poor compatibility with commercial Li-ion electrolytes and graphite anodes, making it difficult to directly utilize the well-established infrastructure for Li-ion batteries. Herein, we report a small aromatic amine molecule 4,4′,4″-tris(diphenylamino)triphenylamine (N4) functioning as a compatible anion host in the EC-containing Li-ion electrolyte. With an average discharge voltage of 3.6 V (vs. Li+/Li), the N4 electrode delivers a reversible specific capacity of 108 mAh/g, which is much higher than 29 mAh/g for the graphite cathode at the same condition. The high capacity retention of 91.3% was achieved after 500 cycles at 1 A/g. The N4 electrode also exhibited good rate performance. Via different characterization techniques like Fourier transform infrared spectroscopy and X-ray photoelectron spectroscopy, the energy storage mechanism of N4 was revealed as a conversion between amine and quaternary amine cations, accompanied by PF6− (de-)insertion. As consequences, the assembled N4||graphite DIB w showed a high discharge capacity of 90 mAh/g within 1.5–4.1 V, and good cycling stability with a 98% capacity retention after 40 cycles. Decent rate performance was achieved in the N4||graphite DIB as well. This work provides new insights into designing a compatible anion host for affordable DIBs.