bluuebunny/crossref_metadata_2025 huggingface dataset:
Understanding Factors Affecting the Use of Urban Parks Through the Lens of Ecosystem Services and Blue–Green Infrastructure: The Case of Gorky Park, Moscow, Russia
Authors: Dushkova Diana , Taherkhani Mina , Konstantinova Anastasia , Vasenev Viacheslav I. , Dovletyarova Elvira A.
Published: January 2025

As a core and long-established part of urban blue–green infrastructure (BGI), public parks play a significant role in the sustainable development of cities. In particular, they make a major contribution to maintaining healthy ecosystems and providing multiple benefits that support human health and quality of life as a kind of nature-based solution (NBS). Still, planning, design, and management of public parks mostly rely on official standards and technical guidelines, whereas societal perspectives and the use of the ecosystem services (ES) approach (and cultural ecosystem services (CES) in particular) remain inadequately integrated. By assessing CES offered by Gorky Park in Moscow (Russia), the paper aims to bridge this gap and investigate the flow of CES and its relation to park infrastructure and the visitors’ needs. For this purpose, non-participant observation, field notes, and photographs were used in different functional park zones. By investigating visitor activities and factors affecting them, a variety of CES provided by the park have been detected. As aligned with its original idea, the park was mostly used for recreation, leisure, sports, and socializing. Moreover, the CES related to aesthetic, educational, and cultural heritage values were also partially utilized. The park was mostly attractive to the younger generation (the highest number of visitors), whereas visitors over 60 years old were hardly represented. Notably, men were more interested in sports (especially, team sports), whereas women mostly preferred walking (alone, with family, and with friends), relaxation, playing and spending time with children, picnicking, etc., which indicated certain preferences for CES among the park visitors. An interdependent relationship between the CES supply and the park infrastructure was found: the more infrastructural components were identified, the greater variety of park activities and corresponding CES were detected at certain observation points, which could ultimately lead to overcrowding and overutilization of the ES capacity. Given that the Moscow government claims integrating ES into the planning and management of urban BGI as one of the priorities in the city’s environmental policies, the related recommendations are provided. They address the recent challenges of creating integrated BGI, increasing demand for multifunctionality, and the conflicting interests of different visitor groups to maximize the benefits and diversity of CES delivered by the park.
The Relevance of Sex and Age as Non-Modifiable Risk Factors in Relation to Clinical-Pathological Parameters in Colorectal Cancer
Authors: Barna Robert , Dema Alis , Jurescu Aura , Văduva Adrian Ovidiu , Lăzureanu Dorela-Codruța , Vița Octavia , Natarâș Bianca , Hurmuz Ioana , Vidac Adelina , Tăban Sorina , Dema Sorin
Published: January 2025

Background and objectives: We aimed to assess the significance of sex and age compared to other clinical-pathological parameters in colorectal cancer (CRC). Materials and methods: Our study included a retrospective approach to CRC patients who underwent surgery at the ‘Pius Brinzeu’ County Clinical Emergency Hospital in Timisoara (PBECCHT), Romania. The analyzed parameters were: patient age and sex, tumor location, histological type, differentiation grade (G), extent of tumor (pT), lymph-node status (pN), distant metastasis status (pM), and lymphovascular invasion (LVI). The population was divided into three groups based on age, with those under 49 years old, 50 to 69 years old, and elderly (>70). Results: The study’s inclusion criteria were met by 1885 patients, with a male-to-female ratio of 1.39:1. There were significant differences between the sexes in the anatomical location of tumors (p < 0.0001). Younger patients were more likely to have deeply invasive tumors (p = 0.0096), LVI (p = 0.0332), lymph-node metastases (p = 0.0158), and metastatic disease (p = 0.0017). Conclusions: Over the ten-year period reviewed, the frequency of CRC cases has progressively increased, with males being diagnosed more often. In terms of patient age, the young population exhibits clinical features of aggressive evolution. Patient sex did not influence the analyzed parameters, except for tumor location, where right colon tumors are slightly more common in females.
Dual-Activated Tamarix Gallica-Derived Carbons for Enhanced Glyphosate Adsorption: A Comparative Study of Phosphoric and Sulfuric Acid Activation
Authors: Benaoune Saliha , Merzougui Abdelkarim , Remmani Rania , Bouzidi Narimene , Ruiz-Canales Antonio , Akacha Imane , Djellouli Amir
Published: January 2025

This study investigates the efficacy of activated carbons (ACs) derived from Tamarix gallica (TG) leaves for glyphosate removal from aqueous solutions. Two chemical activation methods, using phosphoric acid (H3PO4) and sulfuric acid (H2SO4), were compared to optimize adsorbent performance. The resulting materials, labeled AC-H3PO4 and AC-H2SO4, were comprehensively characterized using XRD, FTIR, SEM-EDS, BET analysis, and pHpzc determination, revealing distinct physicochemical properties. AC-H3PO4 exhibited a larger surface area (580.37 m2/g) and more developed pore structure compared to AC-H2SO4 (241.58 m2/g). Adsorption kinetics were best described by the pseudo-first-order model for both adsorbents. Isothermal studies demonstrated that AC-H3PO4 followed a pore-filling mechanism best described by the Dubinin–Radushkevich model, while AC-H2SO4 showed multilayer adsorption fitting the Freundlich model. Both adsorbents exhibited high glyphosate removal capacities, with maximum Langmuir adsorption capacities of 247.58 mg/g and 235.13 mg/g for AC-H3PO4 and AC-H2SO4, respectively. The mean free energy of adsorption (E) values confirmed physisorption as the dominant mechanism. This research highlights the potential of TG-derived activated carbons as sustainable and effective adsorbents for glyphosate remediation in water treatment applications, demonstrating the impact of activation methods on adsorption performance.
Effect of the Alkali-Sulphate Activators on the Hydration Process of Blast-Furnace Slag Mortars and Pastes
Authors: Li Lei , Darquennes Aveline , Hannawi Kinda , Che Caigan
Published: January 2025

The alkali-activation of blast-furnace slags (BFSs) is a topic largely studied today. However, some types of activators, more environmentally friendly, have been less studied such as alkali-sulphate activators. In this study, the effect of four alkali-sulphate activators (Na2SO4, K2SO4, MgSO4, CaSO4.2H2O) is investigated to better understand the effect of cations (Na+, K+, Mg2+, Ca2+) and of a high content of sulphate ions (SO42−) on the hydration process of BFS and the nature of the hydrates. To reach this objective, a large experimental campaign is carried out to characterize the pore solution, the hydration products and the kinetics of the chemical reactions. As the temperature seriously affects the hydration advancement, the activation energy coefficient is also determined experimentally to compare the results as function of the equivalent time. Finally, a new method is proposed to determine the evolution of the hydration degree of BFSs, a key parameter for predicting the evolution of the hydrates through a thermodynamic modeling. The results indicate that the use of sodium sulphate results in faster hydration kinetics and shorter setting times due to a higher pH of their pore solution, leading to a larger rate of C-A-S-H type gel precipitation from the initial setting time to the long term and a higher hydration advancement. These hydration products are characterized by a higher content of Na+ and a denser rim around the surface of anhydrous particles. The effect of K2SO4, MgSO4 and CaSO4.2H2O on the BFS activation efficiency is limited compared to Na2SO4 due to their lower rate of C-S-H type gel evolution at early age. It is directly related to the pH of the pore solution and the effect of cations on the nature of hydrates. However, the compressive fis research study, a large strength beyond 28 days is more significant for mortars activated with Na2SO4 and MgSO4, satisfying the strength requirement of the repaired mortars (R2 and R3) due to the larger contents of C-(N)-A-S-H/M-S-H-type gels, ettringite and hydrotalcite.
Thermal Degradation of Polymer Composites Based on Unsaturated-Polyester-Resin- and Vinyl-Ester-Resin- Filled Kraft Lignin
Authors: Siharova Nadiia V. , Pączkowski Przemysław , Sementsov Yuriy I. , Zhuravsky Serhiy V. , Borysenko Mykola V. , Terets Andriy D. , Mischanchuk Olexandr V. , Terets Mariia I. , Hrebelna Yulia V. , Gawdzik Barbara
Published: January 2025

The creation of heat-resistant polymers represents one of the most significant challenges and priorities in contemporary scientific research. The incorporation of a filler of analogous nature and content into disparate types of resins will facilitate the identification of the relationship between properties and the structure of macromolecular chains in synthetic resins that function as composite matrices. The objective of this study was to ascertain the impact of lignin at 5 and 15% by weight on the thermal degradation of two resin-based composites with disparate structural compositions. The thermal decomposition products of the composites were determined by the method of temperature-programmed desorption mass spectroscopy (TPD MS). The thermal oxidative degradation patterns of polymer composites were investigated through derivatography (Q–1500D). It was demonstrated that the incorporation of lignin in modest quantities has a negligible impact on the thermal stability of the composites. Notably, the temperature at which the composites undergo thermal decomposition during thermal oxidation degradation exhibits a variation of over 10 °C, suggesting that the utilisation of lignin holds promise for the development of environmentally benign and cost-effective materials for diverse industrial applications.
Multi-Objective Optimization of Machinability and Energy Consumption of Cast Iron Depending on Cooling Rate
Authors: Öztürk Burak , Kara Fuat
Published: January 2025

Cooling rates in cast iron significantly impact its microstructure, leading to bainitic transformation instead of ferritic structures, resulting in microstructures with higher pearlite content and even cementite formation. Consequently, this transformation causes hardness values to vary between 160 and 320 HB, directly affecting the material’s machinability. Energy efficiency has become a critical focus in sustainable production techniques and cost-effective machining processes. This variation directly influences machinability, with higher hardness generally improving surface quality. Energy efficiency in machining is crucial for sustainable production, and Specific Cutting Energy Consumption (SCEC) has become a key metric in evaluating machinability. Using genetic algorithms (GA) and Response Surface Methodology (RSM), this study optimized machining parameters for energy consumption and surface finish. GA results indicated that a cutting speed of 200 m/min and a feed rate of 0.15 mm/rev minimized surface roughness to 1.359 Ra while reducing Specific Energy Consumption (SEC) from 3.25 to 2.83 Wh/mL. The lowest surface roughness (1.0 µm) was observed at a hardness of 320 HB, with the same cutting parameters. RSM analysis identified optimal parameters as a cutting speed of 150–200 m/min, a feed rate of 0.2 mm/rev, and a hardness of 220–245 HB, balancing energy efficiency and surface quality. ANOVA showed that cutting speed and feed rate contributed to 30% of the surface roughness variability and 45% of the energy consumption variability.
Efficient Numerical Schemes for a Heterogeneous Reaction–Diffusion System with Applications
Authors: Akhter Samima , Arif Md. Ariful Islam , Alqahtani Rubayyi T. , Bhowmik Samir Kumar
Published: January 2025

In this study, a class of nonlinear heterogeneous reaction–diffusion system (RDS) has been considered that arises in modeling epidemiological interactions, environmental sciences, and chemical and ecological systems. Numerical and analytic solutions for this kind of variable medium nonlinear RDS are challenging. This article developed a few highly accurate numerical schemes for such problems. For the spatial integration of the heterogeneous RDS, a few finite difference schemes, a Bernstein collocation scheme, and a Fourier transform scheme were employed. The stability and accuracy analysis of the spectral schemes were studied to confirm the order of convergence of the approximation. A few methods of lines were then used for the temporal integration of the resulting semidiscrete model. It was confirmed theoretically that the spectral/pseudo-spectral method is very efficient and highly accurate for such a model. A fast and efficient solver for the resulting full discrete system is highly desired. A Newton–GMRES–Multigrid solver was applied for the resulting full discrete system. It is demonstrated in tabular form that a multigrid accelerated Newton–GMRES solver outperforms most linear solvers for such a model.
Mathematical Modeling of Ride-Hailing Matching Considering Uncertain User and Driver Preferences: Interval-Valued Fuzzy Approach
Authors: Supian Sudradjat , Subiyanto Subiyanto , Sylviani Sisilia , Megantara Tubagus Robbi , Bon Abdul Talib , Preda Vasile
Published: January 2025

This study introduces a fuzzy interval-valued approach using multi-objective linear programming to optimize passenger–driver matching in ride-hailing systems, addressing uncertainties in waiting times and fare preferences. The model aims to minimize total waiting times, balance job allocations among drivers, and reduce deviations in fare expectations between passengers and drivers. The proposed framework effectively manages operational uncertainties by incorporating interval-valued fuzzy parameters, including traffic variability and fluctuating demand patterns. Numerical experiments using real-world data demonstrate that the interval-valued fuzzy model significantly outperforms deterministic methods in reducing average waiting times, achieving higher request fulfillment rates, and ensuring a more equitable distribution of assignments among drivers. The results highlight the model’s robustness and adaptability, particularly under high uncertainty scenarios, and its ability to maintain service reliability and user satisfaction. While computational complexity remains a limitation, integrating the model with AI and IoT technologies offers promising avenues for scalability and real-time applications. These findings contribute to advancing optimization frameworks in ride-hailing systems, emphasizing uncertainty management’s importance in enhancing operational efficiency and fairness.
Components and Biological Activities of Venom from Lionfishes (Scorpaenidae: Pterois)
Authors: Rodriguez Candelario , Carrasco Jafeth , Bruner-Montero Gaspar , Pires Júnior Osmindo Rodrigues , Gutiérrez Marcelino , Díaz-Ferguson Edgardo
Published: January 2025

Fishes of the genus Pterois possess spines that provoke intense pain, which can last for weeks. Since the first toxicological description of their spine venom, a significant amount of research has been published regarding their biochemical characterization. This minireview presents research published from 1959 to 2024 on bioactive substances found in Pterois species. Pterois venom mainly contains peptides and proteins that display a range of biological activities, including anticancer, antimicrobial, antioxidant, antiviral, enzymatic, cardiovascular, procoagulant, neurological, neuromuscular, and nutraceutical effects. Although Pterois venom contains bioactive substances, the toxic side effects, such as hemolysis and nociception, of these venoms should be considered. Hence, further intense research is needed to establish the potential uses of Pterois venom for human health.
Unprecedented Flooding in the Marche Region (Italy): Analyzing the 15 September 2022 Event and Its Unique Meteorological Conditions
Authors: Tartaglione Nazario
Published: January 2025

On 15 September 2022, a flood affected the Marche region, an Italian region that faces the Adriatic Sea. Unlike previous floods that affected the same area, no typical weather system, such as cyclones or synoptic fronts, caused the recorded extreme precipitation. In fact, the synoptic situation was characterized by a zonal flow, which normally does not cause intense precipitation over that area. The aim of this study was to understand which ingredients led to extraordinary precipitation in the region. ERA5 and the Weather Research Forecast (WRF) model were used to describe the synoptic situation and to reproduce rainfall. While limited area models with a horizontal resolution of a few km failed to forecast the precipitation, as confirmed by a WRF simulation with a horizontal resolution of 3 km, reducing the horizontal grid spacing to about 500 m improved the rain’s reproducibility. Together with a zonal flow that interested most of Italy, an atmospheric river starting in the eastern Mediterranean Sea transported moisture over the region. The interaction between the zonal flow and orography resulted in frontogenesis in the Apennine Lee. This process deformed the thermal structures in the area and created conditions of convective instability, transforming the moisture into copious rainfall. Moreover, ERA5 and the time series of observed rainfall from 1959 to 2022 were used to explore whether similar events, in terms of geopotential height configuration and rainfall, occurred in the past. Three metrics were employed to compare the event’s 700 hPa geopotential height pattern with all the other patterns, and the result was that the event was unique in the sense that a zonal flow, like that observed during the event of 15 September 2022, had never produced such an amount of precipitation in the time range considered, while all the events with the highest rainfall were usually associated with cyclonic structures.
Portable Cell Tracking Velocimetry for Quantification of Intracellular Fe Concentration of Blood Cells
Authors: Tran Linh Nguyen T. , Paz Gonzalez Karla Mercedes , Choe Hyeon , Wu Xian , Strayer Jacob , Iyer Poornima Ramesh , Zborowski Maciej , Chalmers Jeffrey , Gomez-Pastora Jenifer
Published: January 2025

Hematological analysis is crucial for diagnosing and monitoring blood-related disorders. Nevertheless, conventional hematology analyzers remain confined to laboratory settings due to their high cost, substantial space requirements, and maintenance needs. Herein, we present a portable cell tracking velocimetry (CTV) device for the precise measurement of the magnetic susceptibility of biological entities at the single-cell level, focusing on red blood cells (RBCs) in this work. The system integrates a microfluidic channel positioned between permanent magnets that generate a well-defined magnetic field gradient (191.82 TA/mm2). When the cells are injected into the chamber, their particular response to the magnetic field is recorded and used to estimate their properties and quantify their intracellular hemoglobin (Hb) concentration. We successfully track over 400 RBCs per condition using imaging and trajectory analysis, enabling detailed characterizations of their physical and magnetic properties. A comparison of the mean corpuscular hemoglobin measurements revealed a strong correlation between our CTV system and standard ultraviolet–visible (UV-Vis) spectrophotometry (23.1 ± 5.8 pg vs. 22.4 ± 3.9 pg, p > 0.05), validating the accuracy of our measurements. The system’s single-cell resolution reveals population distributions unobtainable through conventional bulk analysis methods. Thus, this portable CTV technology provides a rapid, label-free approach for magnetic cell characterization, offering new possibilities for point-of-care hematological analysis and field-based research applications.
An Assessment of Local Geometric Uncertainties in Polysilicon MEMS: A Genetic Algorithm and POD-Kriging Surrogate Modeling Approach
Authors: Roy Ananya , Rizzini Francesco , Gattere Gabriele , Valzasina Carlo , Ghisi Aldo , Mariani Stefano
Published: January 2025

On the way toward MEMS miniaturization, the quantification of geometric uncertainties stands as a primary challenge. In this paper, an approach that combines genetic algorithms and proper orthogonal decomposition with kriging surrogate modeling was proposed to accurately predict over-etch measures through an on-chip test device. Despite being fabricated on a single wafer under nominally identical manufacturing conditions, MEMS can display different responses under the same actuation, due to a different characteristic geometry. It is shown that the uncertainties, given in terms of over-etch values, were not only different from die to die but also within the same die, depending on the local geometric features of the device. Therefore, the proposed method provided an alternative solution to estimate the uncertainties in MEMS devices, relying only on the capacitance–voltage response. A statistical analysis was carried out based on a batch of devices tested in the laboratory. These tests and the estimation procedure allowed us to quantify the mean values of the over-etch relative to the target as +12.2 % at comb fingers, +10.0 % at the supporting springs, and −4.8 % at stoppers, showing noteworthy variability induced by the environment.
Eco-Friendly Alternatives to Toluene-Based 2D Inks for Inkjet and Electrohydrodynamic Jet Printing Processes: A Rheological Study
Authors: Rijo Pedro C. , Tocci Ilaria , Galindo-Rosales Francisco J.
Published: January 2025

Green sustainable solvents have emerged as promising alternatives to petroleum-derived options, such as toluene. This study demonstrates the use of cyrene as an effective exfoliation medium for graphene nanoplatelets (GNPs) and hexagonal boron nitride (hBN) and molybdenum disulfide (MoS2) particles. The incorporation of polyvinylpyrrolidone (PVP) attenuates the shear-thinning behavior of GNP and hBN suspensions, maintaining a constant shear viscosity over a wide range of shear rates regardless of PVP molecular weight. Despite the presence of polymer, elasticity is hindered by inertia effects, making it impossible to accurately measure the extensional relaxation time in the capillary breakup extensional rheometer (CaBER). Assuming the weak elasticity of the formulations has a negligible impact on the breakup mechanism, we estimated droplet sizes for drop-on-demand (DoD) inkjet printing and electrohydrodynamic (EHD) jet printing based on fluid properties, i.e., viscosity, surface tension and density, and nozzle inner diameter (Dnozzle). Results indicate that the droplet size ratio (Ddrop/Dnozzle) in DoD printing can be up to two orders of magnitude higher than the one predicted for EHD jet printing at the same flow rate. This work highlights the potential of cyrene-based 2D inks as eco-friendly alternatives for advanced printing technologies.
A Genomic Characterization of Clinical Brucella melitensis Isolates from Tunisia: Integration into the Global Population Structure
Authors: Ferjani Asma , Buijze Hellen , Kopprio Germán , Köhler Susanne , Rehaiem Amel , Battikh Hajer , Ammari Lamia , Ferjani Sana , Kanzari Lamia , Zribi Meriam , Kilani Badreddine , Hanschmann Nicolle , Scholz Holger , Boutiba Ilhem
Published: January 2025

Brucellosis represents a significant global health concern that is endemic in many regions of the world, especially in Maghreb (Tunisia, Morocco and Algeria). In Tunisia the diagnosis of human brucellosis is primarily based on serological tests and cultivation of the causative pathogen, without the knowledge of the underlying Brucella species or biovar. In addition, the scarcity of laboratories with adequate biosecurity measures to handle suspected specimens constitutes a significant challenge. Furthermore, the absence of full genome data limits our understanding of the genetic diversity of Brucella in Tunisia in comparison to the strains circulating in the North African region and the world. In the present study, a total of 36 bacterial isolates derived from human patients diagnosed with brucellosis in Tunisia were subjected to examination. Real-time PCR confirmed all isolates as B. melitensis. In the subsequent core genome-based MLST analysis (cgMLST) based on 2706 target genes, the isolates formed two separate but closely related clusters with a distance of 140 alleles. The intra-cluster diversity was one to six alleles. In the larger geographical context and in comparison to almost 1000 other Brucella genomes, the isolates showed the highest genetic relationship to B. melitensis isolates from Italy and Egypt with distances of 130 and 150 alleles, respectively. All the isolates were most similar to the biovar 3 genotype. Markedly, strains from a reported brucellosis outbreak in Austria were grouped closely (26 and 27 alleles, respectively) together with strains from Tunisia, suggesting that this country may represent their geographical origin. This research represents a significant advancement in our understanding of B. melitensis strains circulating in the Maghreb region, as it is the first study to elucidate the molecular characterization of strains isolated from humans in Tunisia. The cgMLST analysis of the strains provided information on the regional distribution of the strains and the association with neighboring countries and significant outbreaks in the region. The data will form the basis of a future reference framework for strains circulating in the Mediterranean region.
Ore Genesis of the Langcun Porphyry W-Mo Deposit, South China: Constraints from Fluid Inclusion and H-O-S Isotopics
Authors: Cui Kai , Qu Yunwei , Xie Yuling , Yang Kejun , Huang Zhaoqiang
Published: January 2025

The Langcun W-Mo deposit, located in the Zhejiang Province of South China, is a medium-sized porphyry deposit. The ore bodies mainly occur in aplite, granite porphyry, and the contact zone with hornfels of the Nanhua System. Four stages of mineralization are recognized in the Langcun deposit, including the quartz–K-feldspar stage (stage I), quartz–sericite–molybdenite stage (stage II), quartz–chlorite–pyrite stage (stage III), and calcite stage (stage IV). Stages I and II are the main ore-forming stages for wolframite and molybdenite. The petrographic and microthermometric results show that four types of fluid inclusions exist in the Langcun W-Mo deposit, including two-phase liquid-rich fluid inclusions (type LV), three-phase CO2-rich fluid inclusions (type LC), pure CO2 fluid inclusions (type C), vapor H2O inclusions (type V), and multi-phase inclusions with daughter minerals (type LDV). In stage I, the fluid inclusion assemblage is LDV + LV + V, and the LDV and LV fluid inclusions have similar homogenization temperatures (281–387 °C), indicating a boiling fluid inclusions association. In stage II, the fluid inclusion assemblage is LC + C, indicating immiscibility between CO2 and aqueous fluids. The homogenization temperatures of type LC are in the range of 228–342 °C, and the salinities are in the range of 2.77–5.14 wt.% NaCl equiv. The fluid inclusions in stages III and IV are type LV, with homogenization temperatures in the ranges of 224–275 °C and 200–225 °C, respectively, and salinities in the ranges of 1.74 to 4.96 wt.% NaCl equiv and 1.06 to 3.39 wt.% NaCl equiv, respectively. Hydrogen and oxygen isotopic results indicate that the ore-forming fluids mainly come from magmatic water in the early stage and may have received an input of meteoric water in the late stage, which results in the decrease in the temperature and salinity of ore-forming fluid. Early W-Mo precipitation was induced by CO2 escape because of decompression, and fluid mixing resulted in Mo precipitation in the later stage.
Chromatographic and Spectroscopic Analyses of Cannabinoids: A Narrative Review Focused on Cannabis Herbs and Oily Products
Authors: Duchateau Céline , Stévigny Caroline , Waeytens Jehan , Deconinck Eric
Published: January 2025

Cannabis sativa L. is cultivated nowadays for agricultural, industrial, and medicinal applications and also for recreational use. The latter is due to the presence of delta-9-tetrahydrocannabinol, a psychoactive substance. Recreational cannabis policies vary between different countries, which has led to the lack of a clearly defined legal context for cannabis and also a diversity of products derived from or containing cannabis on the (il)legal market. These cannabis-derived products have regained attention, notably because of their cannabinoid content. This review aims to assess and present analytical methods developed to analyze phytocannabinoids with spectroscopic and chromatographic techniques in specific cannabis matrices: herbs and oily products. Published papers from 2018–November 2024 were searched for with precise criteria, analyzed, and summarized. In the studies, liquid and gas chromatographic techniques (>70% reviewed papers) were the most used and have been widely applied using similar methods, and most papers were focused on cannabis herbs (>75%). Techniques were also compared and future challenges were identified. A comparison of different specificities of chromatographic and spectroscopic techniques discussed in this current review has also been established and summarized.
Analysis of Structures of SARS-CoV-2 Papain-like Protease Bound with Ligands Unveils Structural Features for Inhibiting the Enzyme
Authors: Varghese Ann , Liu Jie , Liu Bailang , Guo Wenjing , Dong Fan , Patterson Tucker A. , Hong Huixiao
Published: January 2025

The COVID-19 pandemic, driven by the novel coronavirus SARS-CoV-2, has drastically reshaped global health and socioeconomic landscapes. The papain-like protease (PLpro) plays a critical role in viral polyprotein cleavage and immune evasion, making it a prime target for therapeutic intervention. Numerous compounds have been identified as inhibitors of SARS-CoV-2 PLpro, with many characterized through crystallographic studies. To date, over 70 three-dimensional (3D) structures of PLpro complexed ligands have been deposited in the Protein Data Bank, offering valuable insight into ligand-binding features that could aid the discovery and development of effective COVID-19 treatments targeting PLpro. In this study, we reviewed and analyzed these 3D structures, focusing on the key residues involved in ligand interactions. Our analysis revealed that most inhibitors bind to PLpro’s substrate recognition sites S3/S4 and SUb2. While these sites are highly attractive and have been extensively explored, other potential binding regions, such as SUb1 and the Zn(II) domain, are less explored and may hold untapped potential for future COVID-19 drug discovery and development. Our structural analysis provides insights into the molecular features of PLpro that could accelerate the development of novel therapeutics targeting this essential viral enzyme.
Application of Transformers to Chemical Synthesis
Authors: Jin Dong , Liang Yuli , Xiong Zihao , Yang Xiaojie , Wang Haifeng , Zeng Jie , Gu Shuangxi
Published: January 2025

Efficient chemical synthesis is critical for the production of organic chemicals, particularly in the pharmaceutical industry. Leveraging machine learning to predict chemical synthesis and improve the development efficiency has become a significant research focus in modern chemistry. Among various machine learning models, the Transformer, a leading model in natural language processing, has revolutionized numerous fields due to its powerful feature-extraction and representation-learning capabilities. Recent applications demonstrated that Transformer models can also significantly enhance the performance in chemical synthesis tasks, particularly in reaction prediction and retrosynthetic planning. This article provides a comprehensive review of the applications and innovations of Transformer models in the qualitative prediction tasks of chemical synthesis, with a focus on technical approaches, performance advantages, and the challenges associated with applying the Transformer architecture to chemical reactions. Furthermore, we discuss the future directions for improving the applications of Transformer models in chemical synthesis.
How Microsolvation Affects the Balance of Atomic Level Mechanism in Substitution and Elimination Reactions: Insights into the Role of Solvent Molecules in Inducing Mechanistic Transitions
Authors: Fu Gang , Wang Hongyi , Zhen Wenqing , Zhou Xin , Yang Li , Zhang Jiaxu
Published: January 2025

Solvents play a crucial role in ion–molecule reactions and have been used to control the outcome effectively. However, little is known about how solvent molecules affect atomic-level mechanisms. Therefore, we executed direct dynamics simulations of the HO−(H2Ow) + CH3CH2Br system to elucidate the dynamics behavior of chemical reactions in a microsolvated environment and compared them with previous gas-phase data. Our results show that the presence of a single water solvent molecule significantly suppresses the direct mechanism, reducing its ratio from 0.62 to 0.18, thereby promoting the indirect mechanism. Spatial effects and prolonged ion–molecule collisions combine to drive this mechanism shift. Among them, water molecules impede the reactive collisions of HO− and CH3CH2Br, while at the same time, the attractive interaction of hydrogen bonds between ions and molecules produces long-lived intermediates that favor the indirect mechanism. On the other hand, microsolvation also affects the reaction preference of the SN2 and E2 channels, which is more conducive to stabilizing the transition state of the SN2 channel due to the difference in solute–solvent interactions, thus increasing the competitiveness of this pathway. These results emphasize the profound influence of solvent molecules in regulating reaction selectivity and underlying microscopic mechanisms in more complex systems.
Extracellular Vesicles as Mediators and Potential Targets in Combating Cancer Drug Resistance
Authors: Zhang Haodong , Wu Bohan , Wang Yanheng , Du Huamao , Fang Liaoqiong
Published: January 2025

Extracellular vesicles (EVs) are key mediators in the communication between cancer cells and their microenvironment, significantly influencing drug resistance. This review provides a comprehensive analysis of the roles of EVs in promoting drug resistance through mechanisms such as drug efflux, apoptosis resistance, autophagy imbalance, and tumor microenvironment modulation. Despite extensive research, details of EVs biogenesis, cargo selection, and specific pathways in EVs-mediated drug resistance are not fully understood. This review critically examines recent advancements, highlighting key studies that elucidate the molecular mechanisms of EVs functions. Additionally, innovative therapeutic strategies targeting EVs are explored, including inhibiting EVs biogenesis, engineering EVs for drug delivery, and identifying resistance-inhibiting molecules within EVs. By integrating insights from primary research and proposing new directions for future studies, this review aims to advance the understanding of EVs in cancer biology and foster effective interventions to mitigate drug resistance in cancer therapy.
Exploring Volatiles and Biological Effects of Commiphora africana and Boswellia papyrifera Incense
Authors: Eltigani Sara A. , Ohta Chisato , Nakamiya Ryota , Yokono Mizuki , Bito Tomohiro , Takahashi Kenji , Yabuta Yukinori , Eltayeb Mohamed M. , Ohta Toshio , Ishihara Atsushi
Published: January 2025

The resin of Commiphora africana and the resin and bark of Boswellia papyrifera play versatile roles in traditional Sudanese culture, including use in inhalation therapy, liquid remedies, and as chewing gum. Thus, this study aimed to analyze the volatile compounds in these materials using various extraction methods and assess their biological activities. Extraction methods included MonoTrap solid-phase microextraction, smoke solvent trapping, and acetone immersion. Gas chromatography−mass spectrometry analysis of MonoTrap extracts identified highly volatile compounds, while smoke extracts contained compounds with lower volatility. Solvent immersion captured a broader range of compounds. The resin of C. africana was rich in limonene, verbenone, and β-selinene, whereas B. papyrifera extracts contained octyl acetate, trans-nerolidol, and nerolidol isobutyrate as major compounds. Biological assays showed C. africana smoke extract inhibited tyrosinase activity, with p-cymene and S-limonene acting as competitive inhibitors. It also inhibited the growth of cancer cells, A549 and MIA Paca-2, while solvent extracts from both resins inhibited all tested cell lines. Further, the acetone extracts exhibited strong antibacterial activity against Streptococcus mutans. These results highlight the differences in chemical composition between the two species, the impact of extraction methods, and the therapeutic potential of C. africana and B. papyrifera as sources of bioactive compounds.
The Role of Orthobunyavirus Glycoprotein Gc in the Viral Life Cycle: From Viral Entry to Egress
Authors: Gao Han , Zhao Dengshuai , Li Canyuan , Deng Menghua , Li Gan , Chen Shengfeng , Zhao Mengmeng , Qin Limei , Zhang Keshan
Published: January 2025

Orthobunyavirus refers to the virus members within the Genus Orthobunyavirus, which is the largest virus genus in the Family Peribunyaviridae and even Class Bunyaviricetes. To date, over 130 species of Orthobunyaviruses have been identified worldwide. Orthobunyaviruses mainly infect arthropods, while some species are capable of being transmitted to mammals, including humans, via intermediate vectors. As emerging and re-emerging pathogens, orthobunyavirus poses a significant threat to both human and veterinary public health worldwide. Currently, there are no commercial vaccines against orthobunyavirus. The structure of orthobunyavirus is relatively simple, consisting of a typical tri-segmented negative-sense RNA genome that encodes four structural proteins (L, Gn, Gc, and N) and two non-structural proteins (NSm and NSs). The highly glycosylated Gc protein, which has a complex conformation and forms polymers embedded in the viral envelope, plays a critical role in inducing neutralizing antibodies throughout the orthobunyavirus infection cycle from entry to egress. This review provides a comprehensive summary of the virus-encoded Gc protein and its role in the virus life cycle from viral entry to egress, offering researchers with valuable integrated information for further investigations.
Thermal Characterisation and Toxicity Profile of Potential Drugs from a Class of Disubstituted Heterofused Triazinones
Authors: Sztanke Małgorzata , Łyszczek Renata , Ostasz Agnieszka , Głuchowska Halina , Sztanke Krzysztof
Published: January 2025

The thermal characterisation and toxicity profile of a class of disubstituted heterofused triazinones were revealed in this article for the first time. The thermal behaviour of molecules 1–12 was investigated by means of TG and DSC analyses performed in an air atmosphere and by the coupled TG/FTIR technique in a nitrogen atmosphere. The heating atmosphere affects both the stability of compounds and the degradation mechanism. A two-step degradation occurs in air, while a one-step degradation takes place in nitrogen, both preceded by a melting process. Compound 3 shows the highest thermal stability, while molecule 10—the lowest. The thermal decomposition of the studied heterocyclic molecules begins with the degradation of the bicyclic system, resulting in the formation of volatile gaseous products such as ammonia/hydrazine, hydrogen cyanide, carbon dioxide, and isocyanates. In the further stage, mainly aromatic compounds are released, and their chemical composition depends on the presence and type of substituents at the phenyl and benzyl moieties. In addition, the toxicity profiles of molecules were assessed in the animal (zebrafish) and cellular (erythrocytes) models, and the antihaemolytic activity was evaluated in the AAPH- and H2O2-induced haemolysis inhibition assays. It was found that all the tested compounds are safe for the developing zebrafish and red blood cells, and they are able to effectively protect erythrocytes from oxidative damage. These favourable properties make them promising drug candidates suitable for further in vivo studies.
Eco-Friendly Dyeing and Functional Finishing of Organic Cotton Using Optimized Oolong Tea Stems (Agricultural Waste) Through Response Surface Methodology
Authors: Xu Huiya , Yang Chen , Song Ha-young
Published: January 2025

As people attempt to elude the environmental issues associated with synthetic dyes, interest in natural dyes has recently increased significantly. Oolong tea stems act as a common agricultural waste yet offer advantages like high production, low cost, and a stable supply. The objectives of this research are to investigate the potential utilization of oolong tea waste, specifically tea stems, as a natural dye source for the development of organic cotton fabrics with added health benefits. In this study, using the Kubelka–Munk (K/S) value as an indicator, the dyeing process was refined through response surface methodology (RSM) by investigating the pH of the dye solution, temperature, and duration. Accordingly, it was demonstrated that the optimal effect was achieved at a pH value of 7.9, a duration of 80 min, and a temperature of 90 °C. Furthermore, under these conditions, the color fastness and functional performance of dyed organic cotton were compared with and without chitosan as a mordant. The results showed that the organic cotton dyed with oolong tea stem extract not only had a good color fastness grade but also presented excellent antibacterial properties, ultraviolet protection properties, and oxidation resistance. Especially with the assistance of chitosan, the dyed fabric achieved excellent performance above grade 4 in all color fastness test items; moreover, its antibacterial activity against Staphylococcus aureus reached more than 90%, the ultraviolet protection coefficient reached 25.3, and the antioxidant activity exceeded 90%. Consequently, considering environmental concerns, natural dyes extracted from discarded oolong tea stems are promising substitutes for synthetic dyes in the textile sector.
Changes in Hormonal Profile and Body Mass Index in Women with Polycystic Ovary Syndrome After Probiotic Intake: A 12-Week Placebo-Controlled and Randomized Clinical Study
Authors: Szydłowska Iwona , Nawrocka-Rutkowska Jolanta , Gorzko Amalia , Pawłowski Hubert , Starczewski Andrzej , Szczuko Małgorzata
Published: January 2025

Introduction: The beneficial effect of probiotics on the improvement of carbohydrate and lipid metabolism, as well as body mass index (BMI), has been demonstrated in various patient groups. We aimed to investigate the effect of a multi-strain probiotic on the hormonal balance of women with PCOS. Ethical approval was obtained from the Bioethical Committee. Methods: The study was designed as a 12-week, randomized, double-blind, placebo-controlled clinical study. The probiotic SanProbi® Barrier capsules, which contain a unique composition of nine probiotic bacteria strains (Lactobacillus and Biffidobacterium), were used in the study. The mean age of the study participants was a mean of 28.42 ± 5.62 years. A total of 50 women with PCOS, diagnosed based on Rotterdam ESHRE criteria, were included in the study. Among them, 25 women were randomized to a placebo group, and 25 to a probiotic group. Results: A comparison of changes in individual hormone levels between groups confirmed statistically significant differences for TSH, androstenedione, SHBG, and BMI. In the case of LH, the statistical significance of the difference in delta change in the probiotic group was demonstrated with the use of a one-tailed test. Conclusions: Probiotic supplementation may serve as an alternative supporting treatment, especially in the phenotype of women with a high FAI index. Probiotic therapy is also effective in reducing BMI in overweight women with PCOS
Lactiplantibacillus plantarum BXM2 Treatment Alleviates Disorders Induced by a High-Fat Diet in Mice by Improving Intestinal Health and Modulating the Gut Microbiota
Authors: Cai Xiaohui , Huang Juqing , Yu Tian , Guan Xuefang , Sun Meng , Zhao Dazhou , Zheng Yafeng , Wang Qi
Published: January 2025

Objective: Lactiplantibacillus plantarum BXM2 is a novel probiotic derived from fermented passion fruit (Passiflora edulis) juice that possesses promising probiotic potential. The aim of this study was to evaluate the beneficial effects of L. plantarum BXM2 supplementation in mice. Methods: L. plantarum BXM2 was orally administered to male SPF C57BL/6J mice fed a high-fat diet (HFD) to evaluate its anti-obesity potential, as well as the effects on intestinal health and microbiota. Results: Our results demonstrated that L. plantarum BXM2 significantly decreased the perirenal adipose index and improved intestinal health by increasing the ratio of villus height to crypt depth and the goblet cell number in the intestine. Furthermore, L. plantarum BXM2 treatment exhibited regulatory effects on intestinal chronic inflammation in mice by normalizing the mRNA expression of TNF-α and IL-6. Of note, L. plantarum BXM2 reversed HFD-induced gut dysbiosis, as evidenced by the decreased ratio of Bacillota (Firmicutes) to Bacteroidota, the decreased abundance of obesity-related genera Dubosiella, Romboutsia, and Lachnospiraceae_UCG006, and the increased abundance of beneficial genera Akkermansia and Lactobacillus. Conclusions: Our findings support the beneficial role of L. plantarum BXM2 supplementation in interventions targeting gut dysbiosis and obesity-related disorders.
Cobalamin Status Among Patients with Fetal Alcohol Spectrum Disorder (FASD)—A Preliminary Study
Authors: Król-Dykas Magdalena , Dyląg Katarzyna , Przybyszewska Katarzyna , Burkot Katarzyna , Tokarz Aleksandra , Kowalska Katarzyna , Dumnicka Paulina , Kurnik-Łucka Magdalena , Zarzycka Marta , Gil Krzysztof
Published: January 2025

Background/Objectives: Fetal alcohol spectrum disorders comprise a range of neurodevelopmental disorders caused by prenatal alcohol exposure. Recent investigations have revealed that among patients with neurodevelopmental disorders, serum cobalamin (vitamin B12) levels are substantially higher than those of healthy controls. Patients with fetal alcohol spectrum disorders similarly present with higher levels of cobalamin, yet the significance of cobalamin in the pathogenesis of fetal alcohol spectrum disorders remains to be established. This study aimed to examine cobalamin and other cobalamin status markers in patients with fetal alcohol spectrum disorders in comparison with healthy controls. Methods: In total, 80 patients were enrolled in the study—41 diagnosed with fetal alcohol spectrum disorders and 39 healthy controls. The diet history method was used to assess vitamin B12 intake for three days preceding blood sampling. Total vitamin B12 (cobalamin), holotranscobalamin, methylmalonic acid and soluble transcobalamin receptor (CD320) were measured in serum samples. Results: The daily intake of vitamin B12 was higher in patients with fetal alcohol spectrum disorders compared to controls, both in the simple analysis and after adjusting for age (OR for patients with FASDs: 1.82; 95% CI: 1.16–2.87). An elevated serum cobalamin level was noted in some patients from the group with fetal alcohol spectrum disorders. No statistically significant differences were found between the groups in serum levels of cobalamin, holotranscobalamin, CD320 or methylmalonic acid. However, the correlations between cobalamin and its metabolites differed in fetal alcohol spectrum disorders as compared to those in the control group. Conclusions: Our study did not find any deficits of vitamin B12 and its metabolites in patients with fetal alcohol spectrum disorders. Further studies to investigate the role of vitamin B12 in the pathogenesis of fetal alcohol spectrum disorders should be established given the fact that both high and low levels of vitamin B12 may have negative health impacts.