jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Xiao Huang | Jing Fu
Source: Journal of Food Science Nutrition and Health (article, 2025-02-21)
Field: Chemistry — Organic Chemistry

Recent developments in phosphorus-containing ester prodrugs and its prospectives Prodrugs has been established as a strategy to improve the medical properties of their parent drugs, and thereby enhance the possibility of these potential drugs to cure the disease but this modified drugs should be cautious as their properties like issue distribution, efficacy and toxicity may change. In the current developed modifying strategies, esterification is among the most common ones, which masks charged hydrophilic groups with ester promoieties so that permeation ability of drugs through the membrane will enhance. Among various esters, phosphorus-containing ester prodrugs are attractive due to close relationship between atom phosphorus and key bioactive compounds including DNA or RNA, phospholipid, proteins. Herein, we will review the developments of these prodrugs, especially phosphate and phosphonate prodrugs, their synthetic methods, pros and cons, application and methods for characterization, with which specific examples or clinical trials will be attached for clearer description Ultimately, we prospect that the phosphorus-containing prodrugs will for certain be further studied and improved and be an indispensable role in medical cares. Prodrug ; Phosphorus ; Chemistry ; Environmental chemistry ; Organic chemistry ; Biochemistry Organophosphorus compounds synthesis ; Synthesis and Reactivity of Sulfur-Containing Compounds ; Phosphorus compounds and reactions
Authors: Raksha Laxman Mhetre | V. V. Shinde | Nilesh S. Kulkarni | Shashikant Dhole
Source: Journal of Drug Delivery and Therapeutics (article, 2025-09-15)
Field: Materials Science — Materials Chemistry

Recent Advances in Pickering Emulsions: Stabilizers, Applications and Future Directions Pickering emulsions are a type of dispersion in which solid particles stabilize the interface between oil and water, often offering greater stability than traditional emulsions that rely on surfactants. This review thoroughly examines the main factors that affect the performance and stability of Pickering emulsions, such as the particles' wettability, dimensions, morphology, and how densely they cover the interface. A crucial factor, particle wettability, is typically measured by the contact angle formed at the interface of the three phases. Crucial for effective emulsion stabilization, with particles exhibiting intermediate wettability (θ ≈ 90°) offering optimal stability. Particle size plays a complex role, with smaller particles enhancing stability by forming dense interfacial layers and resisting sedimentation. Non-spherical particles, such as rods, ellipsoids, and Janus particles, exhibit unique stabilization mechanisms due to their high aspect ratios and deformability at the interface. Surface coverage and electrostatic interactions also significantly impact emulsion stability. The review discusses the pickering emulsions offer several benefits compared to traditional surfactant-based emulsions. These advantages include enhanced stability due to the irreversible adsorption of solid particles at the interface, reduced reliance on synthetic surfactants, and improved biocompatibility and environmental friendliness, reduced toxicity and suitability for various applications. The preparation methods and characterization techniques for Pickering emulsions are summarized, along with their diverse applications in pharmaceuticals, biomedicine, cosmetics, and functional foods. Recent advances and future directions are explored, emphasizing the potential of engineered colloidal particles, multiparticle stabilization, and microencapsulation techniques for enhancing stability and functionality. This comprehensive review provides valuable insights into the fundamental principles and practical applications of Pickering emulsions, guiding future research and development in this promising field. Keywords: Pickering emulsion, applications, future scope Pickering emulsion ; Wetting ; Emulsion ; Particle (ecology) ; Adsorption ; Biocompatibility ; Colloid ; Colloidal particle Pickering emulsions and particle stabilization ; Proteins in Food Systems ; Advanced Polymer Synthesis and Characterization
Authors: Marta‐Lisette Pikma | Aleksander Trummal | Ivo Leito | Agnes Kütt
Source: Molecules (article, 2025-05-20)
Field: Chemistry — Organic Chemistry

The Impact of Perfluoroalkyl Groups on Phosphane Basicity This study employed computational methods to investigate the basicity of a series of polyfluorinated phosphanes. Results revealed an exceptionally low basicity, with the computed p<i>K</i><sub>aH</sub> values in acetonitrile approaching -30, a value significantly lower than anticipated. The good agreement between the SMD and COSMO-RS methods provided confidence in the reliability of these values. This unexpected behavior challenges conventional perceptions of phosphane basicity and deepens our understanding of the electronic effects of fluorination. The findings hold important implications for catalysis, ligand design, and main-group chemistry, where a precise comprehension of phosphane electronic properties is crucial. p<i>K</i><sub>aH</sub>(MeCN) values, gas-phase basicities, and steric parameters are reported for 14 phosphanes. Steric effects ; Acetonitrile ; Chemistry ; Electronic effect ; Ligand (biochemistry) ; Catalysis ; Computational chemistry ; Group (periodic table) ; Stereochemistry ; Organic chemistry ; Receptor Chemical Reaction Mechanisms ; Organic Chemistry Cycloaddition Reactions ; Chemistry and Chemical Engineering
Authors: Margot Paco-Chipana | Alvaro Muñoz‐Castro
Source: RSC Advances (article, 2025-01-01)
Field: Materials Science — Materials Chemistry

Impact on increasing the bent angle in nickel dibenzoporphyrin(2.1.2.1) bows. Evaluation of structural and molecular features from computations Non-planar porphyrin motifs enable particular characteristics relevant for a wide range of applications. We explored (through computations) the features of increasing the bend in the more flexible dibenzoporphyrin (2.1.2.1) core. We decreased the bridge length from the recently reported butadiyne-bridged dibenzoporphyrin(2.1.2.1), and its nickel counterpart. Our results highlighted the flexibility of the dibenzoporphyrin(2.1.2.1) core, which could bend from 122.4° to 103.2° involving a strain energy of <3.4 kcal mol<sup>-1</sup>, and of 9.1 kcal mol<sup>-1</sup> from 116.0° to 97.3° upon incorporating the central nickel atom. For further bent angles, destabilization of the dibenzoporphyrin(2.1.2.1) core increased to 23.7 and 38.5 kcal mol<sup>-1</sup>, respectively. This structural control modified the HOMO-LUMO gap and optical absorption patterns, and highlighted an increase in the Lewis acid capabilities of the resulting π-hole site perpendicular to the N4 molecular plane, in comparison with the parent nickel porphyrin, evaluated <i>via</i> calculated fluoride ion affinity. In addition, the induced magnetic field had a deshielding region ascribed to N4- and NiN4-motifs, which was retained within the bent cavity. These observations indicate that controlled bending of N4 is a useful synthetic strategy to tune the capabilities of porphyrin- and metalloporphyrin-like species. Bent molecular geometry ; Nickel ; Bending ; Porphyrin ; Perpendicular ; Fluoride ; Flexibility (engineering) ; Range (aeronautics) ; Molecular geometry Porphyrin and Phthalocyanine Chemistry ; Supramolecular Chemistry and Complexes ; Synthesis and Properties of Aromatic Compounds
Authors: Enfal Kayahan
Source: Pamukkale University Journal of Engineering Sciences (article, 2025-01-01)
Field: Materials Science — Biomaterials

Cellulose Nanocrystals: Synthesis Procedures and Characterization Techniques zThe production of renewable materials from lignocellulosic materials through various processes has become a significant research area for scientists, leading to the emergence of novel materials such as cellulose nanocrystals (CNCs) and cellulose nanofibrils (CNFs).The development of these bio-based materials not only contributes to the expansion of fundamental knowledge and the creation of innovative processes but also facilitates the widespread application of cellulosic nanomaterials across various engineering disciplines.In addition to being biodegradable and biocompatible, their production from agricultural and industrial waste makes cellulosic nanomaterials environmentally sustainable, thereby increasing researchers' interest in the field.This review article aims to provide a comprehensive analysis of the latest developments in the production processes, raw material sources, and characterization methods of cellulosic nanomaterials, with a particular focus on cellulose nanocrystals (CNCs).Lignosellozik materyallerden eitli proseslerle yenilenebilir malzemeler retmek, bilim insanlar iin nemli bir aratrma alan haline gelmi ve bu sre, selloz nanokristal (SNK) ve selloz nanofibril (SNF) gibi yeni malzemelerin ortaya kmasn salamtr.Bahsi geen biyo-bazl malzemelerin gelitirilmesi, temel bilgi birikiminin artmasna ve yeniliki proseslerin oluturulmasna katkda bulunurken, sellozik nano malzemelerin eitli mhendislik disiplinlerinde yaygn kullanmna da zemin hazrlamtr Cellulose ; Characterization (materials science) ; Bacterial cellulose ; Biocompatible material Advanced Cellulose Research Studies
Authors: Maria Karayianni | Emi Haladjova | Stanislav Rangelov | Stergios Pispas
Source: Polysaccharides (article, 2025-08-01)
Field: Materials Science — Biomaterials

Preparation and Physicochemical Evaluation of Ionically Cross-Linked Chitosan Nanoparticles Intended for Agricultural Use The search for sustainable, economically viable, and effective plant protection strategies against pathogenic bacteria, fungi, and viruses is a major challenge in modern agricultural practices. Chitosan (CS) is an abundant cationic natural biopolymer known for its biocompatibility, low toxicity, and antimicrobial properties. Its potential use in agriculture for pathogen control is a promising alternative to traditional chemical fertilisers and pesticides, which raise concerns regarding public health, environmental protection, and pesticide resistance. This study focused on the preparation of chitosan nanoparticles (CS-NPs) through cross-linking with organic molecules, such as tannic acid (TA). Various formulations were explored for the development of stable nanoscale particles having encapsulation capabilities towards low compounds of varying polarity and with potential agricultural applications relevant to plant health and growth. The solution properties of the NPs were assessed using dynamic and electrophoretic light scattering (DLS and ELS); their morphology was observed through atomic force microscopy (AFM), while analytical ultracentrifugation (AUC) measurements provided insights into their molar mass. Their properties proved to be primarily influenced by the concentration of CS, which significantly affected its intrinsic conformation. Additional structural insights were obtained via infrared and UV–Vis spectroscopic measurements, while detailed fluorescence analysis with the use of three different probes, as model cargo molecules, provided information regarding the hydrophobic and hydrophilic microdomains within the particles. Chitosan ; Nanoparticle ; Chemistry ; Chemical engineering ; Materials science ; Nanotechnology ; Polymer science ; Organic chemistry ; Engineering Nanocomposite Films for Food Packaging ; Polymer-Based Agricultural Enhancements ; Nanoparticles: synthesis and applications
Authors: Ana Varadi | Anca Silvestru | Adriana Popa | Dana Toloman | Arpad Mihai Rostas | Ameen Uddin Ammar | Ion Nesterovschi | Maria Miheţ | Sergiu Macavei | Lucian Barbu–Tudoran | Cristian Leoștean | Maria Ştefan
Source: Journal of Materials Chemistry C (article, 2025-12-18)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Optimizing the Cu <sup>2+</sup> ion and carbon-related defect center ratio in g-C <sub>3</sub> N <sub>4</sub> –ZnO:Cu nanocomposites for supercapacitor applications Nanocomposites based on g-C 3 N 4 as carbon structure and ZnO doped with different Cu ion concentrations (ZnO:Cu x , x = 0, 0.2, 0.4, 0.6, 0.8, and 1%) were tested as electrode materials for supercapacitor application. The electrochemical performances were evaluated for all the tested designs. Supercapacitor ; Nanocomposite ; Electrochemistry ; Ion ; Electrode ; Carbon fibers Supercapacitor Materials and Fabrication ; Advancements in Battery Materials ; Copper-based nanomaterials and applications
Authors: Sándor Balázs Nagy | Anna Adél Ádám | Bence Kutus | Gergely F. Samu | Ákos Kukovecz | Zoltán Kónya | Gábor Varga
Source: Green Chemistry (article, 2025-01-01)
Field: Chemistry — Inorganic Chemistry

La-based perovskite structures as efficient heterogeneous catalysts for acceptorless dehydrogenative coupling of alcohols and amidines toward pyrimidines A noble metal-free synthesis strategy for pyrimidines via acceptorless dehydrogenative coupling (ADC) was developed. This is enabled by the LaCoO 3 catalyst, which allows efficient ADC under mild reaction conditions in a green solvent. Catalysis ; Perovskite (structure) ; Coupling (piping) ; Halide ; Coupling reaction ; Reaction conditions Asymmetric Hydrogenation and Catalysis ; Catalytic C–H Functionalization Methods ; N-Heterocyclic Carbenes in Organic and Inorganic Chemistry
Authors: Ibrahim O. Raji | Torin C. Wilcox | C. Scott Hartley | Dominik Konkolewicz
Source: Polymer Chemistry (article, 2025-01-01)
Field: Chemistry — Organic Chemistry

Photoresponsive polymers for carbodiimide-fueled transient hydrogels Light and fuel responsive polymers were developed. Transient hydrogels could be formed only after exposure to both photochemical and fuel stimuli. Carbodiimide ; Transient (computer programming) ; Self-healing hydrogels ; Polymer ; Chemistry ; Polymer chemistry ; Chemical engineering ; Organic chemistry ; Computer science ; Engineering Advanced Polymer Synthesis and Characterization ; Catalytic Processes in Materials Science ; Covalent Organic Framework Applications
Authors: Pedro Serna | Benjamin Bohigues | Sergio Rojas‐Buzo | Davide Salusso | Yu Xia | Avelino Corma | Silvia Bordiga | Mercedes Boronat | Tom Willhammar | Manuel Moliner
Source: Research Square (preprint, 2025-01-07)
Field: Materials Science — Materials Chemistry

Overcoming Activity/Stability Tradeoffs in CO Oxidation Catalysis by Pt/CeO2 Catalysis ; Redox ; Metal ; Active site ; Chemistry ; X-ray photoelectron spectroscopy ; Noble metal ; X-ray absorption spectroscopy ; Limiting ; Transition metal ; Materials science ; Chemical engineering ; Inorganic chemistry ; Physics ; Organic chemistry ; Absorption spectroscopy Catalytic Processes in Materials Science ; Catalysis and Oxidation Reactions ; Electrocatalysts for Energy Conversion
Authors: Zheng Wu | Y. Ding | Wenxiao Li | Y. Sophia Dai
Source: Biomedical Data Science (article, 2025-01-01)
Field: Materials Science — Materials Chemistry

Nanozyme‐Based Flexible Wearable Devices for the Detection of Human Biomarkers Wearable sensors have emerged as pivotal tools in health management and disease prevention owing to their portability, noninvasive nature, and capacity for real‐time monitoring. In this study, a zirconium‐based metal–organic framework (UiO-66) was employed as a carrier, and a Pt/UiO-66 nanocomposite was constructed to enable the specific detection of human glucose levels. Utilizing the mesoporous effect, Pt nanoparticles with an average diameter of approximately 3.8 nm were successfully formed within the UiO-66 channels, endowing the composite with outstanding oxidase- and peroxidase-like activities. Based on these findings, a flexible wearable sensor platform integrating Bluetooth and wireless transmission technologies was further developed, offering a novel solution for personalized medicine and remote health monitoring<sup>[<xref ref-type="bibr" rid="R1">1</xref>]</sup>. Wearable computer ; Wearable technology ; Computer science ; Human–computer interaction ; Embedded system Advanced Nanomaterials in Catalysis ; Electrochemical sensors and biosensors ; Advanced biosensing and bioanalysis techniques
Authors: Wendi Guo | Rui Luo | Shushuang Li | Kaizhi Wang | Mao Chen | Ting Yang | Heyong He | Qingyuan Bi | Yi Liu | Yong Cao
Source: Angewandte Chemie International Edition (article, 2025-12-23)
Field: Chemistry — Organic Chemistry

Brominated Pd‐on‐Au Nanostructures Enable Reductive Relay Isomerization of Alkynes to <i>E</i> ‐alkenes Achieving stereoselective alkyne semi-hydrogenation to E-alkenes remains a persistent challenge due to inherent limitations of conventional catalysts in controlling stereochemistry and suppressing over-hydrogenation. Herein, we resolve this fundamental dilemma through a rationally designed brominated Pd-on-Au nanocatalyst (Pd<sub>0.03</sub>-Br<sub>1</sub>^Au/TiO<sub>2</sub>) featuring spatially segregated active sites operating via reductive relay isomerization. This sophisticated architecture enables unprecedentedly efficient E-alkene synthesis (>96% selectivity for trans-stilbene at near-quantitative conversion). Fabricated by sequentially depositing Au nanoparticles on TiO<sub>2</sub>, with tiny Pd loading on Au, and controlled surface bromination, the catalyst leverages synergistic cooperativity: The TiO<sub>2</sub>-Au interface primarily activates formic acid (FA) to generate reactive surface-bound hydride species (H*) while minimizing unproductive H<sub>2</sub> formation; concurrently, atomically dispersed Pd<sub>1</sub> sites on Au nanoparticles exclusively mediate rapid Z-to-E isomerization, whereas bromide-capped Pd nanoclusters kinetically regulate FA dissociation kinetics at TiO<sub>2</sub>-Au interface and sterically block overhydrogenation adsorption geometries. This spatially orchestrated multisite system decisively overcomes classical activity-selectivity trade-offs, establishing a universally applicable framework for decoupling and optimizing individual catalytic functions in heterogeneous design. Our work delivers both a sustainable strategy for scalable trans-alkene production and fundamental mechanistic insights into complex cooperative reaction networks. Catalysis ; Nanoclusters ; Isomerization ; Alkyne ; Adsorption ; Nanoparticle ; Heterogeneous catalysis ; Alkene ; Nanomaterial-based catalyst Catalytic C–H Functionalization Methods ; Asymmetric Hydrogenation and Catalysis ; Catalytic Cross-Coupling Reactions
Authors: Franka Brylak | Pawel Löwe | Klaus Wurst | Stephan Hohloch | Fabian Dielmann
Source: Inorganic Chemistry Frontiers (article, 2025-01-01)
Field: Chemistry — Organic Chemistry

Accessing phosphonioacetylide chemistry: isolable alkali metal precursors for rod-shaped carbon donor complexes The high reactivity of a sterically accessible phosphonioacetylide was tamed via alkali metal coordination. The resulting complexes are precursors for introducing the rod-shaped, strongly electron-donating ligand into transition metal complexes. Alkali metal ; Chemistry ; Carbon fibers ; Inorganic chemistry ; Organic chemistry ; Materials science Organometallic Complex Synthesis and Catalysis ; Synthesis and characterization of novel inorganic/organometallic compounds ; Organophosphorus compounds synthesis
Authors: Musa Aliyu Vatsa | Musah Monday | John Tsado Mathew
Source: Science World Journal (article, 2025-02-14)
Field: Chemistry — Organic Chemistry

Production and characterization of Zeolite-A nanoparticles for the treatment of pharmaceutical wastewater This study investigated the production and characterization of Zeolite-A nanoparticles for treating pharmaceutical wastewater. The Zeolite-A exhibited a surface area of 17.06 m²/g, pore size of 9.206 nm, and pore volume of 0.1946 cc/g, highlighting its suitability for adsorption. The adsorption efficiency was evaluated based on contact time, dosage, and temperature. Significant adsorption occurred within the first 20 minutes for chromium (Cr), iron (Fe), and copper (Cu), with concentrations reaching near saturation, followed by minor declines. For Cr, concentrations peaked at 52.6 μg/g, Fe at 48.32 μg/g, and Cu at 42.31 μg/g, before slightly decreasing. The effect of adsorbent dosage showed that increasing the dosage from 0.4 g to 1.2 g significantly enhanced metal removal, with Cu rising from 34.62 μg/g to 96.12 μg/g, Fe from 41.83 μg/g to 92.15 μg/g, and Cr from 43.51 μg/g to 94.16 μg/g. Temperature analysis revealed improved adsorption at higher temperatures, with Cu increasing from 29.1 μg/g at 30°C to 62.15 μg/g at 70°C, Fe from 26.16 μg/g to 55.9 μg/g, and Cr from 28.16 μg/g to 73.7 μg/g. These findings suggest that Zeolite-A nanoparticles effectively remove toxic metals from pharmaceutical wastewater, offering the potential for large-scale wastewater treatment. Zeolite ; Characterization (materials science) ; Chemistry ; Pulp and paper industry ; Business ; Materials science ; Nanotechnology ; Organic chemistry ; Engineering ; Catalysis Nanomaterials for catalytic reactions
Authors: Jacek K. Wychowaniec | Ezgi Irem Bektas | Marcia Mürner | Jiranuwat Sapudom | Martin Šrejber | Marielle Airoldi | Roland Schmidt | Jennifer Vernengo | Charlotte J. C. Edwards‐Gayle | Paul Sean Tipay | Michal Otyepka | Jeremy Teo | David Eglin | Matteo D’Este
Source: ChemRxiv (preprint, 2025-02-13)
Field: Materials Science — Biomaterials

Self-assembly of Tyrosine-containing Peptides into Injectable Hydrogels with Distinct Nanostructures is Key in Determining Inflammatory Response of Macrophages Self-assembling peptides (SAPs) are fully defined nanobiomaterials offering unprecedented opportunities to control nanostructure and chemical attributes to investigate and manipulate cellular signals. To investigate the influence of chemical and morphological characteristics on inflammatory signalling in native immunity, we designed five beta-sheet SAPs: EFEFKFEFK (EF8), YEFEFKFEFK (YEF8), EFEFKFEFKY (EF8Y), YEFEFKFEFKY (YEF8Y) and EYEFKFEFK (EYF8) (F: phenylalanine; E: glutamic acid; K: lysine, Y: tyrosine). The position of tyrosine in the peptide sequence dictated the distinct self-assembly into nanostructures, with sequences EF8Y, YEF8Y, EYF8 self-assembling into thin nanofibers d≈3.8 ± 0.4 nm, YEF8 self-assembling into rod-like flat ribbons d>20 nm and EF8 (control) consisting of both types of self-assembled nanostructures. These distinct nanostructures induced contrasting inflammatory response of monocytic model THP-1 cells-derived macrophages (MΦs). Presence of soluble EF8 nanofibers (at 2 mM) induced anti-inflammatory response and polarization towards an M2 state, whereas YEF8 (at 2 mM) displayed tendency for inducing pro-inflammatory response and polarization towards M1 state. The EF8Y, YEF8Y, EYF8 SAPs did not induce an inflammatory response in our models. These results were validated using peripheral blood mononuclear cells (PBMCs)-derived MΦs from human donors, confirming the critical role of the EF8 and YEF8 SAPs as possible orchestrators of the repair of tissues or inducers of pro-inflammatory state, respectively. The same MΦs polarization responses from THP-1 derived cells cultured on 20 mM hydrogels. These findings will facilitate the utilization of this family of SAPs as immunomodulatory nanobiomaterials potentially changing the course of inflammation during the progression of various diseases. Self-healing hydrogels ; Tyrosine ; Key (lock) ; Self-assembling peptide ; Inflammatory response ; Peptide ; Macrophage ; Chemistry ; Inflammation ; Cell biology ; Medicine ; Biochemistry ; Immunology ; Biology Supramolecular Self-Assembly in Materials ; Immunotherapy and Immune Responses ; Immune cells in cancer