jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Magdalena Błachnio | Małgorzata Zienkiewicz-Strzałka | Jolanta Kutkowska | Anna Deryło‐Marczewska
Source: International Journal of Molecular Sciences (article, 2024-12-18)
Field: Materials Science — Materials Chemistry

Nanosilver–Biopolymer–Silica Composites: Preparation, and Structural and Adsorption Analysis with Evaluation of Antimicrobial Properties In this article, we report on the research on the synthesis of composites based on a porous, highly ordered silica material modified by a metallic nanophase and chitosan biofilm. Due to the ordered pore system of the SBA-15 silica, this material proved to be a good carrier for both the biologically active nanophase (highly dispersed silver nanoparticles, AgNPs) and the adsorption active phase (chitosan). The antimicrobial susceptibility was determined against Gram-positive <i>Staphylococcus aureus</i> ATCC 25923, Gram-negative bacterial strains (<i>Escherichia coli</i> ATCC 25922, <i>Klebsiella pneumoniae</i> ATCC 700603, and <i>Pseudomonas aeruginosa</i> ATCC 27853), and yeast <i>Candida albicans</i> ATCC 90028. The zones of microbial growth inhibition correlated with the content of silver nanoparticles deposited in the composites and were the largest for <i>C. albicans</i> (14-21 mm) and <i>S. aureus</i> (12-17 mm). The suitability of the composites for the purification of water and wastewater from anionic pollutants was evaluated based on kinetic and equilibrium adsorption studies for the dye Acid Red 88. The composite with the highest amount of the chitosan component showed the greatest adsorption capacity (a<sub>m</sub>) of 0.57 mmol/g and the most effective kinetics with a rate constant (log k) and half-time (t<sub>0.5</sub>) of -0.21 and 1.62 min, respectively. Due to their great practical importance, AgNP-chitosan-silica composites can aspire to be classified as functional materials combining the environmental problem with microbiological activity. Chitosan ; Adsorption ; Biopolymer ; Candida albicans ; Antimicrobial ; Chemistry ; Composite number ; Staphylococcus aureus ; Nuclear chemistry ; Silver nanoparticle ; Nanoparticle ; Materials science ; Composite material ; Bacteria ; Microbiology ; Organic chemistry ; Nanotechnology ; Polymer ; Biology Nanoparticles: synthesis and applications ; Nanomaterials for catalytic reactions ; Graphene and Nanomaterials Applications
Authors: Fotis Bilias | Divine Damertey Sewu | Seung Han Woo | Ioannis Anastopoulos | Frank Verheijen | Johannes Lehmann | Wenceslau Geraldes Teixeira | Dionisios Gasparatos | Kathleen Draper | Dimitrios Kalderis
Source: Pure and Applied Chemistry (article, 2024-06-29)
Field: Chemistry — Inorganic Chemistry

Glossary of terms used in biochar research (IUPAC Technical Report) Abstract Biochar is the solid carbonaceous product of biomass pyrolysis. The properties of biochar depend on the biomass feedstock as well as the pyrolysis temperature and time. Therefore, biochars with different properties and functionalities can be produced. Biochar research has been intensive in the past 15 years, focusing mainly on soil applications, wastewater treatment, and contaminant remediation. However, a formal definition of biochar and related terms is missing, which hinders the standardization of scientific results worldwide and the scaling-up of research at the industrial level. Furthermore, an official terminology may promote the development of a harmonized legal framework for biochar production and applications, both at regional and national levels. This glossary of terms consists of 178 scientifically sound definitions of the most commonly used terms in biochar research. The definitions of this glossary are interconnected, allowing the reader to further explore the synergies between terms. The distribution of terms reflects the multidisciplinarity of biochar research: chemistry, material science and engineering, and soil science are the main disciplines represented here. The list of terms is by no means exhaustive and the strategic objective of this effort is to develop a dynamic document in which more terms will be added in the future, and the existing ones will be refined, as biochar research evolves. Chemistry ; Chemical nomenclature ; Glossary ; Biochar ; Environmental chemistry ; Biochemical engineering ; Organic chemistry ; Pyrolysis ; Linguistics Radioactive element chemistry and processing ; Adsorption and biosorption for pollutant removal ; Chemical Synthesis and Characterization
Authors: Barbara Perrone | Maria Gunnarsson | Diana Bernin | Emma Sparr | Daniel Topgaard
Source: Solid State Nuclear Magnetic Resonance (article, 2024-09-21)
Field: Chemistry — Spectroscopy

Cryogenic probe technology enables multidimensional solid-state NMR of the stratum corneum without isotope labeling Solid-state NMR has great potential for investigating molecular structure, dynamics, and organization of the stratum corneum, the outer 10-20 μm of the skin, but is hampered by the unfeasibility of isotope labelling as generally required to reach sufficient signal-to-noise ratio for the more informative multidimensional NMR techniques. In this preliminary study of pig stratum corneum at 35 °C and water-free conditions, we demonstrate that cryogenic probe technology offers sufficient signal boost to observe previously undetectable minor resonances that can be uniquely assigned to fluid cholesterol, ceramides, and triacylglycerols, as well as enables <sup>1</sup>H-<sup>1</sup>H spin diffusion monitored by 2D <sup>1</sup>H-<sup>13</sup>C HETCOR to estimate 1-100 nm distances between specific atomic sites on proteins and lipids. The new capabilities open up for future multidimensional solid-state NMR studies to answer long-standing questions about partitioning of additives, such as pharmaceutically active substances, between solid and liquid domains within the protein and lipid phases in the stratum corneum and the lipids of the sebum. Stratum corneum ; Isotope ; Chemistry ; Solid-state ; Analytical Chemistry (journal) ; Chromatography ; Physical chemistry ; Nuclear physics ; Physics Advanced NMR Techniques and Applications ; Solid-state spectroscopy and crystallography ; Material Dynamics and Properties
Authors: Sara Abdel Samed Farag | M. Farouk | Nabila Shehata
Source: Applied Water Science (article, 2024-11-16)
Field: Chemistry — Organic Chemistry

Evaluation of ZnO/NiO/kaolin nanocomposite as a sorbent/photocatalyst in hybrid water remediation process The colored effluents causing environmental pollution pose a threat to the world. This study aims to assess the effectiveness of nickel oxide/zinc oxide/kaolin nanocomposite (NiO/ZnO/Ka) in removing methylene blue (MB) from water. Furthermore, it aims to examine the impact of synergetic adsorption/photocatalytic degradation (APCD) on the MB adsorption capacity as well as the suitability of the nonlinear adsorption isotherm and kinetic modeling in analyzing the process. The composites ZnO/Ka and NiO/ZnO/Ka were synthesized by the sol–gel method and were characterized by X-ray diffraction, Fourier transform infra-red, field emission scanning electron microscopy, and Brunauer–Emmett–Teller. The impacts of various parameters, such as pH, initial concentration of MB, dose, ionic strength, and temperature, on MB removal were studied using adsorption and APCD. The results showed that ZnO/Ka had the maximum adsorption capacity of MB (39.31 mg/g) and the maximum removal (78.61%) under optimal conditions of pH 10, clay dosage of 0.1 g/25 mL, initial concentration of MB 200 mg/L, contact time of 15 min, and 298 K, while NiO/ZnO/Ka showed the maximum adsorption capacity of MB (40.88 mg/g) and maximum removal (83.74%) at pH 7. It was also noticed that Temkin and Fritz–Schlunder models are the best isotherm models, with the highest R2 (1 and 0.842) for ZnO/Ka and NiO/ZnO/Ka, respectively. Moreover, the data of adsorption and photodegradation of MB onto ZnO/Ka and NiO/ZnO/Ka were revealed to follow pseudo-first-order and Avrami kinetic models with R2 (0.897) for ZnO/Ka and (0.986) for NiO/ZnO/Ka. Overall, NiO/ZnO/Ka showed better removal of MB than ZnO/Ka, and the hybrid process (photodegradation process after adsorption) enhanced the overall efficiency of MB removal than adsorption alone. Sorbent ; Environmental remediation ; Nanocomposite ; Photocatalysis ; Non-blocking I/O ; Materials science ; Process (computing) ; Chemical engineering ; Waste management ; Adsorption ; Nanotechnology ; Chemistry ; Contamination ; Catalysis ; Computer science ; Engineering ; Organic chemistry Nanomaterials for catalytic reactions ; Adsorption and biosorption for pollutant removal
Authors: Corina Cheptea | Alexandru Zara | Ecaterina Ambrosi | Ana Cezarina Moroșanu | Maria Diaconu | Mihaela Miron | Dana Ortansa Dorohoi | Dan Gheorghe Dimitriu
Source: Symmetry (article, 2024-05-30)
Field: Chemistry — Physical and Theoretical Chemistry

On the Solvatochromism of Fluorescein Sodium Fluorescein sodium is a very important compound for a wide spectrum of applications, from which medical applications prevail. Despite this, there are very few studies in the literature related to the structure and fundamental properties of fluorescein sodium and its solutions, with most of the studies dealing with fluorescein. The purpose of the present article is to determine some parameters of the fluorescein sodium molecule approaching the quantum-mechanical modeling and experimental solvatochromism in both binary and ternary solutions. For data analysis, several theoretical models were applied. The results highlight the intermolecular interactions involved in the spectral shift of the electronic absorption band of fluorescein sodium when dissolved in different solvents or binary solvents and allowed the estimation of the difference between the interaction energy in molecular pairs of the type of fluorescein sodium − solvent 1 and fluorescein sodium − solvent 2. By applying a variational method, the dipole moment in the first excited state of the fluorescein sodium molecule and the angle between the dipole moments in the ground and excited states, respectively, were estimated. These results are useful for a better understanding of the behavior of fluorescein sodium when dissolved in different solvents or combinations of solvents, to develop new practical applications. Solvatochromism ; Fluorescein ; Excited state ; Sodium fluorescein ; Chemistry ; Dipole ; Solvent ; Intermolecular force ; Sodium ; Fluorescence ; Molecule ; Photochemistry ; Organic chemistry ; Optics ; Atomic physics ; Physics Photochemistry and Electron Transfer Studies ; Free Radicals and Antioxidants ; Photochromic and Fluorescence Chemistry
Authors: Dawei Yao | Phuoc Hoang Ho | Johann C. Wurzenberger | Thomas Glatz | Wei Di | Rojin Feizie Ilmasani | Derek Creaser | Louise Olsson
Source: Chemical Engineering Journal (article, 2024-03-13)
Field: Materials Science — Materials Chemistry

Deciphering SO2 poisoning mechanisms for passive NOx adsorption: A kinetic modeling approach and development of a high-resistance catalyst Passive NOx adsorption (PNA) is a promising technology aimed at reducing NOx emissions from vehicles during the cold start phase of the engine. This work investigated the SO2 poisoning mechanism of PNA through a combination of experimental research and kinetic modeling, leading to the development of a novel PNA sample with high resistance to SO2 poisoning. Pd/SSZ-13 samples were synthesized using different drying conditions, revealing that samples dried at room temperature showed lower degradation (10 %) compared to those dried at 80 °C (26 %). Investigation into the degradation revealed that ion exchanged Pd sites with a hydroxyl group were more resistant to SO2 poisoning than other Pd sites. It is also found that SO2 aids in NOx storage on Pd sites, enhancing the PNA performance. A kinetic model was developed to describe the SO2 poisoning behavior and its influence on NOx storage. The model, which was verified under various conditions, effectively simulated the PNA behavior and SO2 poisoning of Pd/SSZ-13. NOx ; Adsorption ; Catalysis ; Chemistry ; Degradation (telecommunications) ; Kinetic energy ; CO poisoning ; Chemical engineering ; Organic chemistry ; Computer science ; Engineering Catalytic Processes in Materials Science ; Industrial Gas Emission Control ; Catalysis and Oxidation Reactions
Authors: Bianca de Andrade Feitosa | Bruno Bassi Millan Torres | Marcos Luginieski | Douglas José Coutinho | Gregório Couto Faria
Source: Materials Horizons (article, 2024-01-01)
Field: Materials Science — Polymers and Plastics

Non-ideal nernstian behavior in organic electrochemical transistors: fundamental processes and theory Despite the successful implementation of organic electrochemical based devices (OEDs), fundamental processes that regulate their operations and sensing capabilities, specifically those related to ion-to-electron transduction, remain unclear. Indeed, there is still a lack of fundamental models to explain the steady-state and transient characteristics of OEDs, associating fundamentals of the physical-chemistry of the pair polymer-electrolyte with the output performance of such devices. In this study, we bring new highlights to a thermodynamic-based model that qualitatively and quantitatively describes OEDs operation, with a special focus on the organic electrochemical transistor (OECT). In this context, we introduce novel interpretations for traditional drain current models, grounded in thermodynamic and electrochemical principles. The model fitting parameters are correlated to the physical and chemical properties of the polymer-electrolyte pair, and it has been shown to explain trends observed in experimental results from the literature. Moreover, our model reveals that a non-Nerstian electrochemical behavior dominates OECT operation. Also, by analyzing experimental data, we are able to generate guidelines for material design and device development, targeting highly sensitive electrochemical biosensors and devices. Ideal (ethics) ; Electrochemistry ; Electrolyte ; Transistor ; Materials science ; Nanotechnology ; Chemical physics ; Electrode ; Chemistry ; Physical chemistry ; Physics ; Quantum mechanics Conducting polymers and applications ; Organic Electronics and Photovoltaics ; Advanced Memory and Neural Computing
Authors: Ben Petrovic | Mikhail Gorbounov | Salman Masoudi Soltani
Source: Carbon Capture Science & Technology (article, 2024-06-10)
Field: Chemistry — Inorganic Chemistry

Synthesis of biomass combustion fly ash derived zeolites for CO2 adsorption: Optimisation of hydrothermal synthetic pathway Industrial biomass combustion fly ash has been investigated as a precursor for zeolites with a view to evaluate the potential for adsorption of CO2. The synthesis methodology has been optimised via Design of Experiment by employing a Taguchi L9 array. Three variables were identified as statistically significant, the crystallisation temperature, crystallisation time and the liquid to solid ratio. Analysis of the main effects revealed an optimum set of conditions which produced a sample with the highest adsorption capacity of those prepared, 1.84 mmol g−1 at 50 °C. This was a result of the conversion of the as-received fly ash into type A (LTA) and type X (FAU) zeolites after alkaline fusion with NaOH and hydrothermal treatment. The enthalpy of adsorption was estimated at -40.2kJmol−1 and was shown to be dependent on surface coverage; the isosteric enthalpy of adsorption at zero coverage was -86 kJ mol−1. The working capacity of the adsorbent was maintained at 85 % of the first adsorption uptake after a total of 40 cycles in a simulated temperature swing adsorption process (50 °C/150 °C adsorption/desorption). The equilibrium and kinetic CO2 adsorption isotherms are presented and modelled through non-linear regression to reveal the adsorption mechanisms demonstrated by the fly ash-derived zeolites. Significant heterogeneity exists within the multi-phase zeolite which presents both micro and mesoporosity. The developed adsorbent presents a feasible route to valorisation of biomass combustion fly ash with good potential for application in the separation of CO2. Fly ash ; Hydrothermal circulation ; Combustion ; Biomass (ecology) ; Adsorption ; Chemical engineering ; Hydrothermal synthesis ; Chemistry ; Waste management ; Environmental science ; Pulp and paper industry ; Organic chemistry ; Engineering ; Ecology ; Biology Zeolite Catalysis and Synthesis ; Carbon Dioxide Capture Technologies ; Catalysts for Methane Reforming
Authors: Mohammad Akrami‐Hasan‐Kohal | Adrien Chouchou | Sébastien Blanquer | Tahmer Sharkawi
Source: International Journal of Pharmaceutics X (article, 2024-01-10)
Field: Materials Science — Biomaterials

Everolimus-encapsulation in Pluronic P123 self-assembled micelles as drug delivery systems for drug-coated balloons Drug-coated balloons (DCBs) are effective tools for cardiovascular interventions, ensuring uniform drug delivery to occluded arteries. This research investigates the potential of Pluronic P123 (P123), a micelle-forming polymer, to solubilize and release Everolimus (EVE) from DCBs. Furthermore, it seeks to understand how the ratio of P123 to EVE affects release rates and micelle formation under physiological conditions. We tested three P123 to EVE ratios: 90:10, 75:25, and 50:50. Microscopy revealed that increasing EVE proportions resulted in more uniform coatings. Fourier-transform infrared spectroscopy (FTIR) analysis confirmed the successful incorporation of EVE into the P123 matrix without altering its chemical properties. Differential scanning calorimetry (DSC) studies showed that EVE incorporation affected the crystalline structure of P123, leading to more uniform coatings. In vitro release studies showed that all formulations had <1% drug loss in the first minute (the tracking phase); furthermore, the 90:10 ratio exhibited optimal drug release in the following 3 min, corresponding to the deployment phase in DCB angioplasty. Analysis of micelle loading capacity (LC), encapsulation efficiency (EE), size, and structure indicated an increase in both LC and EE with higher EVE content and a corresponding enlargement in micelle size. Given these findings, the optimized formula provided a consistent coating on commercial balloons, highlighting the potential of using P123 for DCB drug coating and release. Poloxamer ; Micelle ; Drug delivery ; Materials science ; Coating ; Differential scanning calorimetry ; Fourier transform infrared spectroscopy ; Chemical engineering ; Polymer ; Copolymer ; Chemistry ; Biomedical engineering ; Nanotechnology ; Organic chemistry ; Composite material ; Medicine ; Aqueous solution Nanoparticle-Based Drug Delivery ; Advanced Polymer Synthesis and Characterization ; Pickering emulsions and particle stabilization
Authors: Tatiana Zhiltsova | Andreia Costa | Mónica S. A. Oliveira
Source: Journal of Composites Science (article, 2024-07-26)
Field: Materials Science — Polymers and Plastics

Assessment of Long-Term Water Absorption on Thermal, Morphological, and Mechanical Properties of Polypropylene-Based Composites with Agro-Waste Fillers Agro-waste fibres for polymer composite reinforcement have gained increased interest in industry and academia as a more sustainable alternative to synthetic fibres. However, natural fibre composite (NFC) hygroscopicity is still an issue that needs to be solved. This work investigates how prolonged exposure to water affects the properties of the polypropylene (PP)-based injection-moulded composites reinforced with different contents of rice husk (rh) and olive pit (op) fibres. Both rh and op composites became more hydrophilic with increased fibre charge due to the affinity of cellulose and hemicellulose OH groups. Meanwhile, lignin contributes to the protection of the composites from thermo-oxidative degradation caused by water immersion. The PPrh composites had a higher saturation water content of 1.47% (20 wt.% rh) and 2.38% (30 wt.% rh) in comparison to PPop composites with an absorption of 1.13% (20 wt.% op) and 1.59% (30 wt.% op). The tensile elastic modulus has slightly increased, at the cost of the increased saturated composites’ rigidity, in composites with 30% rh and op fibre content (up to 13%) while marginally decreasing (down to 8%) in PP30%op compared to unsaturated counterparts. A similar trend was observed for the flexural modulus, enhanced up to 18%. However, rh and op composites with 30% fibre content ruptured in bending, highlighting their fragility after hydrolytic ageing. Polypropylene ; Composite material ; Absorption of water ; Materials science ; Thermal ; Term (time) Natural Fiber Reinforced Composites ; Nanocomposite Films for Food Packaging ; Advanced Cellulose Research Studies
Authors: Davide Masiello | Ignacio Tudela | Stephen Shaw | Ben Jacobson | Paul Prentice | Prashant Valluri | Rama Govindarajan
Source: Ultrasonics Sonochemistry (article, 2024-10-01)
Field: Materials Science — Materials Chemistry

Mass and heat transfer in audible sound driven bubbles Most research on sonoluminescence and sonochemistry has been conducted at acoustic frequencies above ∼20 kHz. Consequently, mathematical models for the dynamics of acoustically-driven bubbles have hardly been examined in the audible frequency spectrum. Here, we develop a new hybrid modelling approach that combines the rigour of the advection-diffusion model whilst retaining the simplicity of a reduced-order boundary layer model to predict phase-change, mass and heat transfer in an inertially collapsing bubble excited by audible sound. Differences in these approaches are explored through a thorough validation against experimental data obtained from ultra-high speed videos of bubble dynamics at 17.8 kHz. Our results indicate that, while the boundary layer model agrees well with the advection-diffusion model at high driving frequencies, there are significant deviations at lower frequencies, where the boundary layer model overpredicts parameters such as bubble size and quantity of trapped vapour while underpredicting others such as temperature and pressure. These deviations at lower frequencies is caused by an inaccurate estimation of the boundary layer thickness originating from the time-scale competition between diffusion and fast bubble wall motion. Our work questions the suitability of existing reduced-order models developed for ultrasonic frequencies when applied to the audible range, reinforcing that further research in the audible range is needed. Sound (geography) ; Mass transfer ; Acoustics ; Heat transfer ; Sonochemistry ; Materials science ; Mechanics ; Environmental science ; Physics Ultrasound and Cavitation Phenomena ; Fluid Dynamics and Mixing ; Enhanced Oil Recovery Techniques