jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Margarita Terziyska | Veselin Vladev | Zhelyazko Terziyski | Iliana Ilieva | Stefan Bozhkov
Source: BIO Web of Conferences (article, 2025-01-01)
Field: Materials Science — Biomaterials

Application of Peptide Nanostructures in the Food Industry The purpose of this article is to present the concept of nanotechnology, its growing importance in the food industry, and the challenges associated with its use, with a special focus on peptide nanostructures. Peptide nanostructures are innovative materials that self-assemble into nanometer-scale configurations such as nanoparticles, nanocapsules, and nanofibers. These structures can encapsulate bioactive ingredients such as vitamins, antioxidants, and minerals, providing controlled release and enhanced bioavailability. Peptide nanostructures also exhibit strong antimicrobial properties, making them suitable for use as natural bio-preservatives, reducing the risk of microbial contamination, and extending the shelf life of food products. In packaging, these nanostructures can improve the barrier properties of materials, protecting food from external influences and maintaining its freshness. This article examines current research and applications of peptide nanostructures, highlighting their unique properties and potential benefits for the food industry. Despite their promising potential, addressing issues related to the safety and public acceptance of these technologies remains important to ensure their successful implementation. Food industry ; Peptide ; Nanostructure ; Nanotechnology ; Food science ; Business ; Chemistry ; Materials science ; Biochemistry Supramolecular Self-Assembly in Materials ; RNA Interference and Gene Delivery ; Antimicrobial Peptides and Activities
Authors: Bogdan-Teodor Godea | Ana Gogorici | Monica Iordache | Adriana-Gabriela Șchiopu | Daniel-Constantin Anghel | Mariea Deaconu
Source: Energies (article, 2025-09-22)
Field: Materials Science — Materials Chemistry

Modern Systems for Nuclear Fuel Storage and Monitoring: An Analysis of Technological Trends, Challenges, and Future Perspectives The storage and monitoring of nuclear fuel, whether spent or fresh, are key components of the nuclear energy life cycle, with significant implications for safety and sustainability. With the global focus on carbon neutrality, interest in advanced management solutions is rising. This paper provides a comprehensive analysis of modern technologies for the design, storage, and monitoring of nuclear fuel, highlighting current trends and future challenges. The study encompasses both spent and fresh nuclear fuel, with a focus on radiological safety, structural integrity, and digital monitoring. Data were organized into the following categories: storage types (wet/dry), monitored parameters, surveillance technologies (sensors, AI, IoT, and Digital Twin), simulation models, and emerging directions. A comparison between fresh and spent fuel shows a clear shift toward intelligent systems using non-invasive sensors, deep-learning algorithms, and decentralized architectures (e.g., blockchain-IoT). Despite progress, challenges remain, such as limited interoperability across system generations and insufficient experimental validation. This paper provides a solid foundation for researchers, suggesting future directions that include the full integration of AI in monitoring, broader numerical simulations for reliability, and the standardization of digital interfaces. These measures could significantly enhance the safety and efficiency of nuclear fuel storage systems. Interoperability ; Standardization ; Spent nuclear fuel ; Nuclear material ; Key (lock) ; Focus (optics) ; Carbon capture and storage (timeline) ; Nuclear power Nuclear Materials and Properties ; Nuclear reactor physics and engineering ; Nuclear and radioactivity studies
Authors: Asma Hajji | Paul E. D. Soto Rodriguez | Ahmed Souemti | Lei Wang | Inocencio R. Martín | Adel Megriche
Source: Journal of the American Ceramic Society (article, 2025-10-06)
Field: Materials Science — Materials Chemistry

Optical ratiometric probes based on photoluminescent core–shell structured carbon dots@silica for temperature sensing Abstract Accurate temperature measurements with high spatial resolution are crucial in the biomedical field, demanding innovative nanoscale thermometers with advanced properties. In this study, core–shell carbon dots (CDs@SiO 2 ), supported with fluorescein and manganese phosphate flakes (Mn 3 (PO 4 ) 2 ), are utilized as dispersible ratiometric temperature sensors. These materials exhibit dual emission in the visible spectral range and have previously demonstrated effectiveness as fluorescent thermometers. However, the strong optical properties and morphology of CDs require precise control over temperature‐dependent fluorescent spectra in the range of 293–343 K, making them suitable for biological systems. The ratiometric response of the two integrated emission bands from CDs@SiO 2 @Fluo and CDs@SiO 2 @MnP decreases monotonically with increasing temperature, indicating high relative sensitivity and minimal temperature error at room temperature. This underscores the effectiveness of the functionalization strategy and highlights the potential of core–shell structures for future biomedical applications. Fluorescence ; Photoluminescence ; Carbon fibers ; Nanoscopic scale ; Emission spectrum ; Resolution (logic) ; Surface modification ; Luminescence Carbon and Quantum Dots Applications ; Advanced biosensing and bioanalysis techniques ; Luminescence and Fluorescent Materials
Authors: Asen Dimov | George R. Ivanov | Leonard Keil | Andreas Terfort | Jinxuan Liu | Velichka Strijkova
Source: Coatings (article, 2025-12-08)
Field: Chemistry — Inorganic Chemistry

Langmuir and Langmuir–Blodgett Monolayers from 20 nm Sized Crystals of the Metal–Organic Framework MIL-101(Cr) Metal–Organic Frameworks (MOFs) have diverse applications due to their tunable porosity, large surface area, and diverse chemical functionalities. Among them, one of the most researched MOFs is MIL-101(Cr), which, in addition, is very stable in water. We have used a commercially available substance with approximately 300 nm large crystals for the preparation of a sensing nano-thin layer for the emerging water contaminant PFOS, due to its high selectivity towards this compound. Here, we have synthesized 20 nm sized crystals of MIL-101(Cr), which are among the smallest reported, and compared them to the same material with 300 nm sized crystals. The material was characterized by TEM and XPS. It was possible to prepare insoluble monolayers at the air–water interface (Langmuir films), which were characterized with film compression isotherms, Brewster angle microscopy, and surface potential measurements. The Langmuir–Blodgett (LB) method was used to deposit monolayers on Si wafers and 434 MHz Surface Acoustic Wave resonator simultaneously. The LB layers were very stable over time. The smaller-sized MIL-101 (Cr) crystals exhibit denser, more homogeneous water coverage and packing upon compression, with no observable 10–100 µm aggregates. LB monolayers from the 20 nm particles have approximately six times lower surface roughness. The LB monolayer is far from being smooth, but this will allow excellent access to the MOF pores by the tested analyte in a chemical sensing application. The lack of research on depositing presynthesized MOFs using probably the best method for nanoarchitectonics—the LB method—is addressed. The 20 nm sized MOF crystals are the smallest deposited by this method so far. Monolayer ; Brewster's angle ; Wafer ; Analyte ; Homogeneous ; Langmuir ; Layer (electronics) ; Resonator Metal-Organic Frameworks: Synthesis and Applications ; Zeolite Catalysis and Synthesis ; Copper-based nanomaterials and applications
Authors: Ruiqi Li | Yue Zhang | Huan Dai | Chang Lei | Shevanuja Theivendran | Chengzhong Yu
Source: Chemistry - A European Journal (article, 2025-12-29)
Field: Chemistry — Inorganic Chemistry

Manganese‐Based Antioxidant Agents: Understanding Structure–Activity Relationships in Biological Applications Eliminating reactive oxygen species has emerged as an effective therapeutic strategy for diseases related to oxidative stress, such as inflammation, neurodegenerative diseases, and cardiovascular diseases. Manganese (Mn) is an essential component of natural antioxidant enzymes, for example, superoxide dismutase (SOD) and catalase (CAT), thus has been extensively used to design artificial antioxidants. This review provides a systematic summary of how the structural engineering of Mn-based antioxidant agents influences their SOD/CAT-like activity. Critical structural parameters, such as Mn valence states, ligand coordination, codoping with other elements, particle size, and morphology, are discussed to correlate the structure-antioxidant performance relationships. Two major biological functions, including regulating immune cell polarization and protecting cells from oxidative damage, are highlighted. Finally, challenges in this field are outlined, and our perspectives on future research are provided. It is expected that this review will provide insights for the further development of advanced Mn-based antioxidants for biomedical applications. Antioxidant ; Reactive oxygen species ; Superoxide dismutase ; Oxidative stress ; Oxidative damage ; Catalase Metal-Catalyzed Oxygenation Mechanisms ; Advanced Nanomaterials in Catalysis ; Metal complexes synthesis and properties
Authors: Carlos V. M. Inocêncio | Almudena Torres‐Pardo | David Montero | Lucien Roach | Pierre‐Olivier Autran | Capucine Sassoye | Cyril Aymonier | Áurea Varela | M. Parras | Christel Laberty‐Robert | David Portehault
Source: Inorganic Chemistry (article, 2025-02-28)
Field: Materials Science — Materials Chemistry

Crystallization of Manganese(V) Oxides by Hydroflux Synthesis: Control of Anisotropic Growth and Electrochemical Stability Despite intriguing optical, magnetic, and redox properties, inorganic materials containing pentavalent manganese (Mn<sup>V</sup>) are rare and could never be designed as shape-controlled crystals, which limits the ability to tune properties. Herein, we explore alkali hydroxide mixtures with controlled water content, namely, hydrofluxes, to demonstrate phase, shape, and nanostructure control of Mn(V) oxides. We demonstrate speciation among KSrMn<sup>V</sup>O<sub>4</sub>, Sr<sub>5</sub>(Mn<sup>V</sup>O<sub>4</sub>)<sub>3</sub>OH, and SrMn<sup>IV</sup>O<sub>3</sub> with the water and strontium content and the nature of the alkali cation of the hydroxide salt. We then provide evidence of the key role of water in enabling shape and nanostructure control, which we relate to the preferential interaction of water with specific crystal facets of the hydroxyapatite Sr<sub>5</sub>(Mn<sup>V</sup>O<sub>4</sub>)<sub>3</sub>OH, and to the impact of water on precursor solubility in water-poor hydrofluxes. We then show that nanostructured Mn(V) hydroxyapatite possesses an acid-base redox stability window, enabling electrochemical operation in strongly oxidative conditions. By correlating the fundamental knowledge of hydrofluxes with crystallization mechanisms, this work sheds light on the possibilities offered by hydrofluxes for crystal shape, size, and property control. Chemistry ; Crystallization ; Manganese ; Electrochemistry ; Chemical engineering ; Manganese oxide ; Inorganic chemistry ; Electrode ; Organic chemistry ; Physical chemistry Electronic and Structural Properties of Oxides ; Transition Metal Oxide Nanomaterials ; Catalytic Processes in Materials Science
Authors: Maria Morga | Dominik Kosior | Małgorzata Nattich-Rak | Izabella Leszczyńska | Piotr Batys | Zbǐgniew Adamczyk | Alexander M. Leshansky
Source: Langmuir (article, 2025-01-21)
Field: Materials Science — Surfaces, Coatings and Films

Kinetics of Macroion Adsorption on Silica: Complementary Theoretical and Experimental Investigations for Poly-<scp>l</scp>-arginine A comprehensive approach enabling a quantitative interpretation of poly-l-arginine (PARG) adsorption kinetics at solid/electrolyte interfaces was developed. The first step involved all-atom molecular dynamics (MD) modeling of physicochemical characteristics yielding PARG molecule conformations, its contour length, and the cross-section area. It was also shown that PARG molecules, even in concentrated electrolyte solutions (100 mM NaCl), assume a largely elongated shape with an aspect ratio of 36. Using the parameters derived from MD, the PARG adsorption kinetics at the silica/electrolyte interface was calculated using the random sequential adsorption approach. These predictions were validated by optical reflectometry measurements. It was confirmed that the molecules irreversibly adsorbed in the side-on orientation and their coverage agreed with the elongated shape of the PARG molecule predicted from the MD modeling. These theoretical and experimental results were used for the interpretation of the quartz crystal microbalance measurements carried out under various pH conditions. A comprehensive analysis unveiled that the results stemming from the hydrodynamic theory postulating a lubrication-like (soft) contact of the macroion molecules with the sensor adequately reflect the adsorption kinetics. The range of validity of the intuitively used Sauerbrey model was also estimated. It was argued that acquired results can be exploited to control macroion adsorption at solid/liquid interfaces. This is essential for the optimum preparation of their supporting layers used for bioparticle immobilization and shell formation at nanocapsules in targeted drug delivery. Adsorption ; Kinetics ; Chemistry ; Chemical engineering ; Arginine ; Thermodynamics ; Chromatography ; Polymer chemistry ; Physical chemistry ; Physics ; Biochemistry ; Amino acid Polymer Surface Interaction Studies ; Hydrogels: synthesis, properties, applications ; Surface Modification and Superhydrophobicity
Authors: Jesús Bladimir Cepero-Rodríguez | F. Ramos‐Brito | Jorge Angulo‐Rocha | M. A. Sánchez-Alejo | R. Martínez‐Martínez | Enrique Camarillo-García | E. Medina | F. J. Sánchez Rodríguez | C. Alejo-Armenta | Vicente Adrián Canizalez-Roman | S. J. Castillo | Jesus J. Molina-Duarte | M. García‐Hipólito
Source: Preprints.org (preprint, 2025-06-19)
Field: Materials Science — Materials Chemistry

Electric Field-Assisted Chemical Bath Deposition of ZnO Thin Films: Effects of Field Intensity, Polarity Inversion, and Air Agitation on Film Properties This study presents an innovative modification to the Chemical Bath Deposition (CBD) method for synthesizing zinc oxide (ZnO) thin films by incorporating a high-voltage electric field (HVEF), with and without electrical polarity inversion, to influence film growth dynamics. Two configurations, CBD-HVEF-A and CBD-HVEF-B, were developed to assess the effects of electric field strength, periodic inversion, air agitation, and solution pH on the structural, morphological, and optical properties of ZnO coatings. X-ray diffraction confirmed the formation of the wurtzite ZnO phase, with reduced interplanar spacing and crystallite size under electric fields, especially when polarity was inverted. Scanning electron microscopy revealed that particle size, shape, and distribution were strongly dependent on synthesis parameters, with electric field and air injection enabling higher surface coverage and finer nanostructures. Optical measurements showed a consistent increase in the band gap (blue shift) and reduced defect-related absorption. These findings demonstrate that controlled electric field application during CBD enables precise tuning of ZnO film properties for advanced optoelectronic applications. Electric field ; Crystallite ; Materials science ; Wurtzite crystal structure ; Thin film ; Band gap ; Chemical bath deposition ; Optoelectronics ; Chemical physics ; Optics ; Zinc ; Nanotechnology ; Analytical Chemistry (journal) ; Chemistry ; Organic chemistry ZnO doping and properties ; Copper-based nanomaterials and applications ; Gas Sensing Nanomaterials and Sensors
Authors: Chunli Chen | Bin Hao | Jincheng Shen | Shuren Liu | Hongzu Feng | Jianwei Zhang | Chen Liu | Yong Li | Hongqiang Dong
Source: Agronomy (article, 2025-06-25)
Field: Chemistry — Organic Chemistry

ZIF-93-Based Nanomaterials as pH-Responsive Drug Delivery Systems for Enhanced Antibacterial Efficacy of Kasugamycin in the Management of Pear Fire Blight Kasugamycin (KSM) is easily affected by photolysis, acid–base destruction, and oxidative decomposition in the natural environment, leading to its poor durability and low effective utilization rate, which affects its control effect on plant bacterial diseases. Nanomaterials modified with environment-responsive agents enable the control of the release of pesticides through intelligently responding to external stimuli, thereby improving efficacy and reducing environmental impact. In this study, a pH-responsive controlled release system was constructed using zeolitic imidazolate frameworks (ZIF-93) for the sustained and targeted delivery of KSM. The synthesized KSM@ZIF-93 exhibited a diameter of 63.93 ± 11.19 nm with a drug loading capacity of 20.0%. Under acidic conditions mimicking bacterial infection sites, the Schiff base bonds and coordination bonds in ZIF-93 dissociated, triggering the simultaneous release of KSM and Zn2+, achieving a synergistic antibacterial effect. Light stability experiments revealed a 34.81% reduction in UV-induced degradation of KSM when encapsulated in ZIF-93. In vitro antimicrobial assays demonstrated that KSM@ZIF-93 completely inhibited Erwinia amylovora at 200 mg/L and had better antibacterial activity and persistence than KSM and ZIF-93. The field experiment and safety evaluation showed that the control effect of KSM@ZIF-93 on pear fire blight at the concentration of 200 mg/L was (75.19 ± 3.63)% and had no toxic effect on pollen germination. This pH-responsive system not only enhances the stability and bioavailability of KSM but also provides a targeted and environmentally compatible strategy for managing bacterial infections during the flowering period of pear trees. Fire blight ; PEAR ; Drug delivery ; Antibacterial activity ; Nanomaterials ; Blight ; Nanotechnology ; Chemistry ; Materials science ; Biology ; Botany ; Bacteria Antimicrobial agents and applications ; Nanocomposite Films for Food Packaging ; Multicomponent Synthesis of Heterocycles
Authors: Tran Dinh Cuong | Anh D. Phan
Source: RSC Advances (article, 2025-01-01)
Field: Materials Science — Materials Chemistry

Effects of hydrostatic compression and kinetic vitrification on structural relaxation behaviors of amorphous drugs: how to predict them <i>via</i> simple theoretical models? Amorphization is considered one of the most promising strategies for enhancing pharmaceuticals' aqueous solubility and oral bioavailability. However, amorphous systems are susceptible to recrystallization because of their disordered atomic structures and elevated free energies. To resolve this problem, one needs accurate information about molecular mobilities under various physical conditions. Unfortunately, it is difficult to investigate the relaxation processes of amorphous drugs beyond the uncompressed supercooled region. Hence, we aim to develop a simple but effective toolkit to predict pharmaceuticals' relaxation time and dynamic fragility at high pressures and low temperatures. First, we apply the elastically collective nonlinear Langevin equation theory to determine the impact of local and non-local interactions on the motion of drug molecules. Then, based on the similarity between the melting transition of crystalline solids and the glass transition of soft materials, a new chemical mapping is created to connect the hydrostatic pressure, the absolute temperature, and the packing fraction. This combined approach allows us to capture the primary relaxation behaviors of amorphous drugs with minimal computational cost. Our theoretical analyses agree quantitatively well with broadband-dielectric-spectroscopy experiments in both supercooled and glassy states. Therefore, they promise to be valuable for improving the physical stability and the practical applicability of amorphous pharmaceuticals. Amorphous solid ; Supercooling ; Glass transition ; Fragility ; Relaxation (psychology) ; Materials science ; Hydrostatic pressure ; Molecular dynamics ; Hydrostatic equilibrium ; Chemical physics ; Thermodynamics ; Chemistry ; Computational chemistry ; Organic chemistry ; Polymer ; Physics ; Composite material Material Dynamics and Properties ; Drug Solubulity and Delivery Systems ; Advancements in Transdermal Drug Delivery
Authors: Ali. Abdulhadi. Mosleh | Zainab Abdelhadi Dakhel
Source: Iraqi Journal of Pharmaceutical Sciences ( P-ISSN 1683 - 3597 E-ISSN 2521 - 3512) (article, 2025-02-15)
Field: Chemistry — Organic Chemistry

In silico study, Synthesis, Characterization and Preliminary Evaluation of Antimicrobial activity of new sulfonamide – 1,2,4-triazole derivatives A new series of sulfonamide derivatives (6a-c), containing 1,2,4-triazole-3-thiol (5a-c) ring system, were synthesized and their structures were identified by using ATR-FT-IR and 1HNMR spectroscopic analytical techniques. The synthesized compounds undergo in vitro evaluation to assess their antimicrobial activity against specific strains of Gram-positive, Gram-negative bacteria, and fungi species and compare them with standard antimicrobial drugs such as sulfamethoxazole, sulfadiazine, and fluconazole. The results indicate successful synthesis of the target compounds, which exhibit high activity against, Gram-positive bacteria (S. aureus, S. pneumonia, and B. subtilis), moderate to high activity against Gram-negative bacteria (P. aeruginosa, E. coli, N. gonorrhoeae and H. pylori), and highly active against fungi species (Candida albicans). H. pylori is the most common etiology of gastric ulcers, and gastric cancer in humans. The carbonic anhydrase enzyme regulates the acid-base balance and enables survival in the highly acidic environment of the stomach. This study utilized computational techniques to screen potential carbonic anhydrase inhibitors that target H. pylori as a therapeutic approach. The synthesized compounds interact with the zinc-binding domain of the H. pylori carbonic anhydrase (4YGF) enzyme, causing disturbance of the acid-base equilibrium and affecting the ability to adapt to the acidic environment of the stomach. This, in turn, affects the pathogenicity and virulence of the H. pylori. Sulfonamide ; In silico ; Antimicrobial ; Combinatorial chemistry ; 1,2,4-Triazole ; Triazole ; Chemistry ; Stereochemistry ; Organic chemistry ; Biochemistry Sulfur-Based Synthesis Techniques ; Synthesis and Biological Evaluation ; Synthesis and biological activity