jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Olha Borysiuk | Vasyl Zhylko | Леся САЛІЄВА | Nataliia Slyvka | Serhii Holota | A. N. Grozav | N. D. Yakovychuk | М. В. Вовк
Source: ScienceRise Pharmaceutical Science (article, 2025-04-30)
Field: Chemistry — Organic Chemistry

Synthesis and biological activity of 2-arylidene-5,6-dihydroimidazo[2,1-b]thiazoles and 6,7-dihydro-5h-[1,3]thiazolo[3,2-a]pyrimidines The aim. The present study is devoted to searching for potential biologically active agents among functionalized imidazo[2,1-b]thiazoles and thiazolo[3,2-a]pyrimidines. Materials and methods. The interaction of preparatively available 5,6-dihydroimidazo[2,1-b]thiazolone and 6,7-dihydro-2H-thiazolo[3,2-a]pyrimidinone with several substituted benzaldehydes in boiling acetic acid in the presence of anhydrous sodium acetate leads to new 2-arylidene-substituted 5,6-dihydroimidazo[2,1-b]thiazoles and 6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidines as potential pharmacological agents. Their antimicrobial activity was studied using the micromethod of two-fold serial dilutions in a liquid nutrient medium. The antioxidant activity of the synthesized compounds was evaluated using a DPPH assay. Results. A library of 2-arylidene-5,6-dihydroimidazo[2,1-b]thiazolone and 6,7-dihydro-2H-thiazolo[3,2-a]pyrimidinone was synthesized by condensation of 5,6-dihydroimidazo[2,1-b]thiazoles and 6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidines with series of aromatic aldehydes. Pharmacological in vitro screening results revealed that synthesized compounds possess moderate antimicrobial activity with MBC and MFC values of 31.25-62.5 mg/mL. While studying the antioxidant activity, it was found that all derivatives effectively inhibited DPPH radicals with an inhibition rate of 42.3-94.4 %. The best antiradical effect was observed for the molecule's derivatives containing 3-methoxy-4-hydroxy- or 2-hydroxyphenylmethylidene fragments. Conclusions. It was found that the Knevenagel condensation of 5,6-dihydroimidazo[2,1-b]thiazolone and 6,7-dihydro-2H-thiazolo[3,2-a]pyrimidinone with aromatic aldehydes is a convenient approach for structure modification and optimization using pharmacophore fragments for these types of heterocycle. The synthesized arylidene derivatives are characterized by moderate antimicrobial and good antioxidant activity in vitro models Chemistry ; Stereochemistry ; Combinatorial chemistry Synthesis and Characterization of Heterocyclic Compounds ; Synthesis of heterocyclic compounds ; Synthesis and Reactivity of Sulfur-Containing Compounds
Authors: Zachary T. Burton | Han Liu | Nathan C. Stumme | Scott K. Shaw | Steve Harris | Simon Laflamme | Kaoru Ikuma
Source: Frontiers in Microbiomes (article, 2025-11-25)
Field: Materials Science — Materials Chemistry

Corrosion inhibition of an aluminum alloy by environmentally derived microbial biofilms Microbial biofilms can influence corrosion outcomes on metal surfaces. Though past studies have largely focused on microbiologically induced corrosion, we report here that environmentally derived microbial communities can form biofilms that inhibit the corrosion of an aluminum alloy. Our findings point to the importance of complex microbial communities, which are more likely to be found on metals exposed to natural environments, in determining corrosion outcomes and highlight a potential role of microbial interactions in corrosion inhibition. Biofilm ; Corrosion ; Aluminium ; Alloy ; Metal ; Natural (archaeology) Corrosion Behavior and Inhibition ; Bacterial biofilms and quorum sensing ; Water Treatment and Disinfection
Authors: X. L. Li | Lei Jin | Gurpreet Singh Selopal | Federico Rosei | Jinhua Li
Source: ChemistryEurope (article, 2025-11-19)
Field: Materials Science — Materials Chemistry

The Application of Carbon Dots in Crops for Sustainable Agriculture Sustainable agricultural systems face numerous challenges, including the need for sustainable resources, enhanced crop productivity, and improved postharvest management. Due to their unique physicochemical properties, such as tunable luminescence range, biocompatibility, ease of synthesis, facile surface functionality, water solubility, and low toxicity, carbon dots (CDs) have emerged as promising nanomaterials for sustainable agriculture. These features enable their broad application throughout the agricultural life cycle, from promoting plant growth and development to enhancing the preservation and detection of agricultural products. CDs can be synthesized from a wide variety of organic waste, including crop residues, facilitating their reintegration into a closed‐loop agricultural system. Here, recent progress in the use of CDs in key stages of the crop growth cycle, including seed germination, vegetative development, and crop protection, is summarized. In addition, their role in postharvest preservation, antimicrobial activity, and safety assessment of agricultural commodities is discussed. Finally, current limitations and future directions for the application of CDs in sustainable agriculture are critically evaluated. Agriculture ; Sustainable agriculture ; Crop ; Sustainability ; Sustainable development ; Postharvest Carbon and Quantum Dots Applications ; Advanced Nanomaterials in Catalysis ; Melamine detection and toxicity
Authors: Isabel Milagros Gavilan-Figari
Source: eXPRESS Polymer Letters (article, 2025-12-04)
Field: Materials Science — Biomaterials

Production of bacterial cellulose by spontaneous fermentation of grape pomace and its thermal, mechanical, and spectroscopic characterization Bacterial cellulose (BC) is an eco-friendly biopolymer with outstanding structural and functional properties, offering promising applications in sustainable packaging and bio-based materials. In this study, we demonstrate the feasibility of producing BC via spontaneous fermentation, using grape pomace supplemented with sucrose as the sole carbon source, nutrient substrate, and microbial inoculum, without the addition of commercial strains or nitrogen supplements. Fermentation was conducted under static conditions, yielding biofilms with stable structural characteristics and BC production of up to 14.1 g/L, thereby confirming the efficiency of this low-cost, residue-based process. The films obtained exhibited well-organized polymeric networks, with thermal stability in the range of Tg ≈ 159–266 °C and mechanical resistance comparable to or higher than conventional biopolymers. Characterization confirmed reproducible chemical profiles, thermal stability, and measurable variation in mechanical performance, with a tensile strength ranging from 0.0001 to 105 MPa and an elongation at break of 15±5%. The process highlights a resource-efficient and sustainable pathway, adaptable to rural contexts and aligned with circular economic principles. While minor variations among replicates reflected the intrinsic variability of biological systems, mean values and standard deviations demonstrated reproducible physicochemical and mechanical properties. These findings demonstrate that BC derived from agro-industrial residues can be produced under simple, low-input conditions, opening opportunities for scalable valorization in functional and sustainable materials. Pomace ; Bacterial cellulose ; Biopolymer ; Ultimate tensile strength ; Cellulose ; Thermal stability ; Characterization (materials science) ; Fermentation Advanced Cellulose Research Studies ; Nanocomposite Films for Food Packaging ; Polysaccharides and Plant Cell Walls
Authors: Jinzhao Zhang | Kaifang Xie | Haonan Cheng | Xiaokang Wang | Jian Li | Changwei Liu | Guangbiao Xu
Source: e-Polymers (article, 2025-01-01)
Field: Materials Science — Polymers and Plastics

Preparation of <i>in situ</i> polymerized polypyrrole-modified braided cord and its electrical conductivity investigation under varied mechanical conditions Abstract With the advancement of flexible electronic textiles, electronic braided cords have garnered significant attention in smart wearable fields by integrating electronic functionalities while preserving textile characteristics such as softness, breathability, and comfort. However, their electrical conductivity suffers varying degrees of degradation under mechanical conditions including friction, stretching, and flexure. This study employed polyester braided cord as a substrate and optimized the preparation of polypyrrole (PPy)-modified braided cord through in situ polymerization combined with orthogonal experimental design. The degradation mechanisms of conductivity under different mechanical conditions were systematically investigated. Experimental results demonstrate that the optimal conductivity (63 S·m −1 ) was achieved when the pyrrole monomer concentration, FeCl₃·6H₂O concentration, pre-immersion time, and polymerization time were set to 0.2, 0.2 mol·L −1 , 4 h, and 9 h, respectively. Although external forces can damage PPy conductive pathways on the cord surface, leading to conductivity loss, the modified cord exhibits excellent friction resistance, stretch tolerance, flexural durability, and stable conductivity under low-load conditions. This research provides critical scientific insights for prolonging the service life of electronic braided cords and their integrated smart textiles. Polypyrrole ; Materials science ; In situ ; In situ polymerization ; Polymerization ; Electrical resistivity and conductivity ; Composite material ; Conductivity ; Polymer chemistry ; Polymer ; Chemistry ; Engineering ; Electrical engineering ; Organic chemistry ; Physical chemistry Conducting polymers and applications ; Advanced Sensor and Energy Harvesting Materials ; Dielectric materials and actuators
Authors: Felipe Padilla‐Vaca | Fátima Berenice Ramírez‐Montiel | Nauru Maya-Vargas | Bernardo Franco | Liliana España-Sánchez
Source: Mundo Nano Revista Interdisciplinaria en Nanociencia y Nanotecnología (article, 2025-10-25)
Field: Materials Science — Materials Chemistry

Nanopartículas metálicas antimicrobianas: resistencia bacteriana, implicaciones y nuevos desafíos l objetivo del presente trabajo es comprender la creciente amenaza que representa la resistencia bacteriana a los antibióticos convencionales, y la necesidad de abordar alternativas como lo son las NPs metálicas con una alta actividad antibacteriana. Esto incluye entender los mecanismos de resistencia desarrollados por las bacterias, tanto para antibióticos convencionales como para NPs metálicas y la amenaza de una resistencia cruzada. La resistencia bacteriana a los antibióticos convencionales representa una gran amenaza para la salud humana. Su uso inadecuado para el tratamiento de enfermedades no bacterianas y en actividades agrícolas, así como el desecho imprudente de los antibióticos ha generado un incremento de bacterias multirresistentes. Por lo anterior, es importante la búsqueda de alternativas que no solamente controlen la infección en el hospedero, sino que también eviten la diseminación de los microrganismos resistentes. Las nanopartículas metálicas han surgido como una buena alternativa por sus propiedades fisicoquímicas y su gran actividad antibacteriana, además de ser efectivas contra bacterias multirresistentes. En los últimos años se han incrementado los reportes de bacterias resistentes a nanopartículas de plata y cobre principalmente, y de los mecanismos de resistencia, lo cual tiene implicaciones relevantes, pues las nanopartículas metálicas podrían favorecer la resistencia a los antibióticos y la resistencia cruzada a metales en aguas residuales, impactando comunidades complejas de microrganismos. El uso de nanopartículas metálicas con propiedades antibacterianas va en aumento y su liberación al medio ambiente podría estar generando bacterias resistentes, por lo cual es importante considerar los aspectos regulatorios asociados con el uso extendido de nanomateriales con actividad antimicrobiana y el seguimiento de bacterias resistentes. Human health ; Human immunodeficiency virus (HIV) ; Primary health care ; Epidemiological surveillance Nanoparticles: synthesis and applications ; Graphene and Nanomaterials Applications ; Chemistry and Chemical Engineering
Authors: Альберт Арамаїсович Азарян | Дмитро Валерійович Швець | Андрій Миколайович Гриценко | Аннаіт Альбертівна Трачук | Олексій Володимирович Черкасов | Олександр Василійович Швидкий
Source: The Scientific Issues of Ternopil Volodymyr Hnatiuk National Pedagogical University Series pedagogy (article, 2025-12-23)
Field: Materials Science — Materials Chemistry

Удосконалення методу визначення просторових параметрів математичної моделі розподіленої автоматизованої інформаційно-вимірювальної системи оперативного контролю якості залізорудної сировини This study investigates processes of irradiating iron ore raw materials by a source of low-energy gamma quanta and registering radiation scattered as a result of the Compton effect, as well as parameters of the irradiation geometry. This work addressed the task of improving the accuracy of existing nuclear-physical methods of control over the quality of iron ore raw materials, which make it possible to promptly determine the material composition of the crushed rock mass. The results essentially indicate that when using a centrally shifted irradiation geometry, the sensitivity of registration of the integral backscatter flux increases compared to the side and central irradiation geometries. This is attributed to improved visibility conditions of the detector, and the formation of a scattering angle close to the optimal. The constructed mathematical model has made it possible to identify the main geometric parameters for the system of operational control over the quality of iron ore raw materials. A formula has been derived that connects the basic parameters in the system of operational control over iron content in ore with the use of centrally shifted irradiation geometry. The studies demonstrated changes in the sensitivity of the registration of the integral backscatter flux when changing the vertical location of the gamma-ray source. The results revealed a maximum sensitivity with a value of 6.08·10-7 at a minimum distance of the radiation source from the single crystal and a distance of 110 mm from the irradiated surface. The value of the correlation coefficient between the model and experimental data is 0.981. The findings could be practically applied to improve the accuracy of methods for operational control over the content of a usable component in iron-containing ores under industrial conditions at ferrous metallurgy enterprises Irradiation ; Visibility ; Raw material ; Sensitivity (control systems) ; Flux (metallurgy) ; Iron ore ; Radiation ; Backscatter (email) ; Scattering Graphite, nuclear technology, radiation studies ; Radiation Shielding Materials Analysis ; Radiation Effects and Dosimetry
Authors: Shermatova Iroda Bakhtiyor kizi | Sagdullayev Shamansur Shakhsaidovich | Khusniddinova Azizakhon Ravshan kizi | Akhmadova Gulrano | Rajabova Nargiza Khalimovna | Tayirova Dilobar Bakhtiyarovna
Source: ScienceRise Pharmaceutical Science (article, 2025-08-30)
Field: Materials Science — Biomaterials

Morphological and size characterization of zinc oxide nanoparticles and evaluation of their cytotoxicity on the MCF-7 cell line The aim. This study aimed to synthesize zinc oxide nanoparticles (ZnO NPs) using a green method based on Scutellaria Iscanderi L. extract and to evaluate their physicochemical properties and in vitro cytotoxic effects on MCF-7 human breast cancer cells. Methods. ZnO nanoparticles were obtained via green synthesis using the aqueous extract of Scutellaria Iscanderi L. as a reducing and stabilizing agent. The morphology, size, and distribution of the nanoparticles were analyzed by atomic force microscopy (AFM), scanning electron microscopy (SEM), and dynamic light scattering (DLS). Elemental composition was determined by SEM-EDX. Cytotoxic activity was assessed using the CCK-8 assay on MCF-7 breast adenocarcinoma cells. Results. The synthesized ZnO NPs exhibited predominantly spherical morphology with a size range of 40–120 nm. DLS measurements showed a mean particle diameter of ~40 nm and a polydispersity index of 0.3, indicating good colloidal stability. EDX confirmed the presence of zinc with a content of 6.87% by mass. Cytotoxicity analysis revealed a dose-dependent reduction in cell viability, with an IC₅₀ value of 126.4 µg/mL. Conclusion. Green-synthesized ZnO nanoparticles demonstrated favorable structural characteristics and moderate cytotoxic effects against MCF-7 cells. These findings suggest their potential application as a basis for further development of anticancer nanotherapeutics MCF-7 ; Cytotoxicity ; Zinc ; Nanoparticle ; Characterization (materials science) ; Cell culture ; Chemistry ; Nuclear chemistry ; Materials science ; Nanotechnology ; Metallurgy ; In vitro ; Biochemistry ; Biology ; Internal medicine ; Medicine ; Genetics ; Cancer Nanoparticle-Based Drug Delivery
Authors: Marcella Balordi | Andrea Cammi | Alessandro Casali | Francesco Pini | Giorgio Santucci de Magistris
Source: Preprints.org (preprint, 2025-10-01)
Field: Materials Science — Surfaces, Coatings and Films

On Hydrophobicity, Superhydrophobicity and Icephobicity of Etched Aluminum Surfaces Several hydrophobic and superhydrophobic aluminum surfaces were prepared with a three-step process that includes chemical etching, a treatment in hot water and a further coating with fluoroalkysiloxane (FAS). By varying the concentration of the etchant, the immersion time in the etchant and the boiling time, surfaces characterized by different roughness were obtained, with a wettability ranging from hydrophobic to superhydrophobic values. The icephobic properties were tested and the results reveal important differences among samples, related to the roughness of the surface and the etching and boiling treatment processes. Wetting ; Superhydrophobic coating ; Boiling ; Aluminium ; Surface roughness ; Contact angle ; Coating Surface Modification and Superhydrophobicity
Authors: Kao-Peng Min | Wei-Hsiang Tung | Cheng-Fu Yang | Chi-Ting Ho | Walter Water | Kao-Wei Min
Source: Sensors and Materials (article, 2025-11-25)
Field: Materials Science — Materials Chemistry

Comprehensive Study on the Effects of Neodymium Doping Concentration on the Structural, Morphological, and Output Properties of Flexible ZnO Nanogenerators Neodymium ; Doping ; Science, technology and society ; Zinc ZnO doping and properties ; Advanced Sensor and Energy Harvesting Materials ; Thin-Film Transistor Technologies
Authors: Robert Pełka | Yuji Miyazaki | Yasuhiro Nakazawa | Dawid Pinkowicz
Source: The Journal of Physical Chemistry C (article, 2025-09-21)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Insight into Magnetocaloric Properties of Mn<sub>2</sub>Nb Molecular Magnet by Relaxation Calorimetry Magnetocaloric effect in [Nb$^\mathrm{IV}${($\mu$-CN)$_4$Mn$^\mathrm{II}$(H$_2$O)$_2$]}$_2\cdot$4H$_2$O]$_n$ molecular magnet is reported. The compound crystallizes in the tetragonal I4/m space group. It exhibits a phase transition to a long-range ferrimagnetically ordered state at $T_\mathrm{c}$ = 47.0(2) K. In order to calculate magnetocaloric properties relaxation calorimetry measurements are performed and a self-consistent scheme based on the magnetic entropy counting for the baseline determination is developed. The molecular field model is used to simulate the temperature and field dependence of the magnetic entropy change. The exchange coupling constant between the Mn$^\mathrm{II}$ and Nb$^\mathrm{IV}$ ions is estimated to be equal to -10.26 K. At the lowest temperatures and for the lowest applied field change values the inverse magnetocaloric effect is revealed, which seems to be characteristic for systems with antiferromagnetic coupling. The temperature dependence of exponent $n$ quantifying the field dependence of $\Delta S_\mathrm{M}$ is calculated on the basis of the experimental results and within the mean-field model. Its predicting power for the universality class of the critical behavior is discussed. Finally, the studied compound is employed as the working substance in the two most natural refrigeration cycles, i.e. the Brayton cycle and the Ericsson cycle, to assess its cooling effectiveness. A cascade system is suggested for the most efficient cooling performance. Magnetic refrigeration ; Adiabatic process ; Magnetic field ; Critical exponent ; Calorimetry ; Antiferromagnetism ; Magnetization ; Tetragonal crystal system ; Phase transition Magnetism in coordination complexes ; Magnetic and transport properties of perovskites and related materials ; Inorganic Chemistry and Materials
Authors: Mengya Liu | Chi Zhang | Lili Xu | Md. Muedur Rahman | Shoshiro Hirayama | Shuhei Aramaki | Atsushi Baba | Ryo Omagari | Yutaka Takahashi | Tomoaki Kahyo | Mitsutoshi Setou
Source: BioTech (article, 2025-12-18)
Field: Chemistry — Spectroscopy

Ion Mobility–Mass Spectrometry Imaging: Advances in Biomedical Research Mass spectrometry imaging (MSI) visualizes the spatial distribution of biomolecules in tissues, whereas ion mobility-mass spectrometry (IM-MS) separates ions through the collision cross-section (CCS) with an inert gas, providing the structural characteristics of isomers. Recent advances have established an integrated workflow, ion mobility-mass spectrometry imaging (IM-MSI), that couples IM with MSI, uniting molecular discrimination with spatial mapping. This synergy has been widely applied in oncology and neuropsychiatric disorders, offering unprecedented insights into biomarker discovery and disease mechanisms. Here, we summarize the principles and classifications of IM-MSI, review their combined biomedical applications, and discuss data processing workflows and commonly used tools. Mass spectrometry ; Mass spectrometry imaging ; Biomolecule ; Workflow ; Ion-mobility spectrometry ; Ion Mass Spectrometry Techniques and Applications ; Metabolomics and Mass Spectrometry Studies ; Advanced Proteomics Techniques and Applications
Authors: Dmitry M. Korotin
Source: ArXiv.org (preprint, 2025-08-19)
Field: Materials Science — Polymers and Plastics

Charge Ordering and Magnetic Exchange in the Ladder-Type Compound NH$_4$V$_2$O$_5$ The low-temperature electronic and magnetic properties of NH$_4$V$_2$O$_5$, an isoelectronic analog of the spin-ladder compound $α'$-NaV$_2$O$_5$, are investigated using DFT+$U$ calculations. Two charge-ordering patterns - zigzag and linear chains of V$^{4+}$/V$^{5+}$ ions - are considered. The zigzag configuration is found to be energetically preferred and exhibits insulating behavior with a band gap of 1.7 eV. In this state, magnetic V$^{4+}$ (d$^1$) ions form antiferromagnetically coupled spin chains. Calculated exchange interactions reveal strong diagonal (intrarung) and interladder couplings, indicating a complex spin-ladder network. These results suggest that NH$_4$V$_2$O$_5$ retains essential spin-ladder characteristics while displaying new structural and magnetic features arising from the larger size and non-spherical geometry of the NH$_4^+$ ion compared to Na$^+$. Zigzag ; Ion ; Charge (physics) ; Antiferromagnetism ; Ferromagnetism ; Spin (aerodynamics) ; Exchange interaction ; Diagonal Transition Metal Oxide Nanomaterials ; Catalysis and Oxidation Reactions ; Polyoxometalates: Synthesis and Applications