jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Yu Xia Hou | Ben Zhong Tang | Dong Wang
Source: Advanced Materials (review, 2025-11-05)
Field: Materials Science — Materials Chemistry

The Rise of AIE‐Peptide Systems: Design Principles, Multifunctional Applications, and Future Perspectives Peptides exhibit exceptional potential in revolutionizing sensors, diagnostics, and therapeutics due to their multifunctionality, target specificity, self-assembly capacity, microenvironment responsiveness, and inherent biocompatibility. Nevertheless, conventional peptide nanomaterials are constrained by limitations in real-time monitoring and comprehensive disease management. Aggregation-induced emission luminogens (AIEgens) address the critical aggregation-caused quenching (ACQ) problem of traditional fluorophores by demonstrating intensified fluorescence emission and amplified photodynamic/photothermal performance in aggregated states. The strategic coupling of AIEgens with peptides (AIE-peptide) creates a synergistic "1+1>2" platform, enabling transformative applications in sensing, bioimaging, and theranostics. This review systematically evaluates innovative design strategies and emerging applications of AIE-peptide materials through molecular engineering perspectives. First, modular design principles are elucidated, followed by critical assessments of multidimensional breakthroughs in sensing, imaging, theranostics, and the synthesis of novel materials. Furthermore, current challenges and future directions for optimizing AIE-peptide architectures and translational implementations are comprehensively discussed. Given the nascent stage and rapid development of this field, continued progress is expected to address existing limitations and broaden practical implementations across diverse disciplines. This review aims to stimulate scientific discourse and inspire innovative frameworks for developing next-generation AIE-peptide materials with heightened biomedical efficacy and clinical impact. Modular design ; Transformative learning ; Implementation ; Scope (computer science) ; Design elements and principles ; Biocompatible material Luminescence and Fluorescent Materials ; Nanoplatforms for cancer theranostics ; Supramolecular Self-Assembly in Materials
Authors: Hongyan Zhu | Xiaowei Wang | Xinyu Chen | Lanyan Li | Yixin Li | Wei‐Dong Yu | Jun Yan | Chao Liu
Source: Chemical Science (article, 2025-01-01)
Field: Materials Science — Materials Chemistry

Dynamic structural engineering of ferrocene-functionalized Ag <sub>20</sub> nanoclusters for enhanced CO <sub>2</sub> electroreduction performance The integration of organometallic motifs with metal nanoclusters offers a powerful strategy for constructing hybrid catalysts with precisely tunable active sites. Here, we report the synthesis of a 20-silver nanocluster, Ag<sub>20</sub>-Fc, <i>via</i> cooperative coordination between thiacalix[4]arene (TC4A) and ferrocenylacetylene ligands. The cluster adopts a distinctive sandwich-like architecture, featuring two Ag<sub>5</sub>@TC4A units flanking a ferrocenyl-stabilized Ag<sub>10</sub> core, and exhibits excellent structural tunability. Ligand engineering allows replacement of the ferrocenylacetylene units with methoxyphenylacetylene (Ag<sub>20</sub>-OPh) or phenylacetylene (Ag<sub>20</sub>-Ph), while preserving the core framework. Electrospray ionization mass spectrometry reveals dynamic structural reorganization in solution, where Ag<sub>5</sub>@TC4A fragments are capable of capturing Ag-alkyne species and reassembling into sandwich-type clusters-a process substantiated by the structural features of Ag<sub>24</sub>, Ag<sub>12</sub>, and Cu<sub>2</sub>Ag<sub>11</sub>. Ag<sub>20</sub>-Fc generates a locally electron-rich environment and conjugated ethynyl bridges that facilitate directional charge transfer, delivering outstanding electrocatalytic CO<sub>2</sub> reduction. It achieves over 98% faradaic efficiency for CO across a wide potential range (-1.0 to -1.8 V <i>vs.</i> RHE) and maintains operational stability for 24 h, significantly outperforming Ag<sub>20</sub>-OPh and Ag<sub>20</sub>-Ph. Density functional theory calculations uncover a dual enhancement mechanism in which orbital hybridization between ferrocenyl groups and silver atoms tunes the electronic structure at active sites, resulting in a 0.28 eV reduction in the energy barrier for *COOH intermediate formation compared to Ag<sub>20</sub>-Ph. Nanoclusters ; Density functional theory ; Cluster (spacecraft) ; Electrospray ionization ; Phenylacetylene ; Catalysis ; Faraday efficiency ; Ligand (biochemistry) ; Structural stability Nanocluster Synthesis and Applications ; Surface Chemistry and Catalysis ; Quantum Dots Synthesis And Properties
Authors: Ola E. Abdel‐Sattar | Manal M. Sabry | Akram A. Shalabi | Ali M. El‐Halawany | Othman Saad Saeed Al‐Hawshabi | Essam Abdel‐Sattar | Meselhy R. Meselhy | Riham A. El‐Shiekh
Source: Chemistry & Biodiversity (review, 2025-07-17)
Field: Materials Science — Biomaterials

Genus <i>Caralluma</i> in Yemen: A Comprehensive Review of Taxonomy, Ethnomedicine, Phytochemistry, and Biological Activities This review provides up-to-date and comprehensive information on Caralluma species native to Yemen, linking traditional uses, taxonomy, phytochemistry, biological activities, and toxicology to guide future research. From over 300 scientific database sources, it identifies approximately 25 Caralluma species across Yemen's diverse landscapes, many endemics, with species like Caralluma dolichocarpa, Caralluma chrysostephana, and Caralluma eremastrum classified as endangered. In Yemen and other Asian regions, Caralluma is traditionally used to manage diabetes, gastrointestinal disorders, inflammation, leprosy, obesity, and arthritis. Key phytochemicals, including pregnane-type steroidal aglycones and glycosides, flavone glycosides, megastigmane glycosides, and triterpenes, which support its medicinal properties. in addition to flavone glycosides, megastigmane glycosides, bitter principles, and triterpenes. Pharmacological studies of Yemeni Caralluma extracts and isolated compounds demonstrated notable antibacterial, antioxidant, anticancer, and antidiabetic, and anti-inflammatory activities in both in vitro and in vivo models. These biological activities could be attributed to the occurrence of specific chemical classes in Caralluma genus. The review highlights the urgent need for further research on the conservation of endemic species and for the scientific validation of traditional uses, positioning Caralluma as a valuable resource for future drug discovery and ethnopharmacological studies in Yemen. Traditional medicine ; Phytochemistry ; Glycoside ; Terpene ; Biology ; Botany ; Medicine ; Biochemistry Phytochemistry and Bioactive Compounds ; Steroid Chemistry and Biochemistry ; Phytochemical Studies and Bioactivities
Authors: Zhiwen Gan | Long Yu | Yongzhen Liu | Yumin Feng | Jiyu Tong | Yuxiu Xiao
Source: Aggregate (article, 2025-10-29)
Field: Materials Science — Materials Chemistry

Engineering Lanthanide Metal‐Organic Framework Nuclease Nanozymes: Unveiling Affinity‐Driven DNA Hydrolysis ABSTRACT Nuclease nanozymes promise robust, tailorable alternatives to natural nucleases, but suffer from their limited hydrolytic activity due to the Lewis acidity‐centric mechanistic dogma and the unclear role of nanozyme–DNA interactions. Here, we report an affinity‐driven strategy that upends conventional cognition. A series of lanthanide metal‐organic frameworks (Ln‐MOFs) were constructed, with catalytic efficiency decoupled from simple acid strength. Activity increased with the lanthanide atomic number despite a decrease in nanozyme‐DNA affinity. Among these, Yb‐BDC (terephthalic acid‐based) exhibited the highest DNA‐cleaving efficiency reported to date (half‐life ≈ 30 min), yet showed minimal activity toward the traditional model substrate bis(4‐nitrophenyl) phosphate (BNPP), thereby challenging the conventional Lewis acidity‐driven paradigm. This unexpected inverse relationship reveals a critical binding‐release cycle as the true driver of DNA hydrolysis. Capitalizing on this discovery, we developed a synthetic CRISPR/Cas‐inspired biosensing platform by integrating Yb‐BDC with rolling circle amplification, replacing natural nucleases. This system enables ultrasensitive detection of non‐nucleic acid targets, expanding the scope of nanozymes in diagnostic applications. Our findings not only establish host–guest interaction engineering as a new paradigm for nuclease nanozymes design but also pioneer a modular framework for their application in biosensing technologies. Lanthanide ; Nuclease ; Biosensor ; Deoxyribozyme ; Substrate (aquarium) ; Scope (computer science) ; DNA Advanced Nanomaterials in Catalysis ; Advanced biosensing and bioanalysis techniques ; Nanocluster Synthesis and Applications
Authors: Lopamudra Das | Tista Sengupta
Source: Discover Applied Sciences (article, 2025-09-26)
Field: Chemistry — Organic Chemistry

An overview of synthesis and biological activities of 2-pyridone derivatives over the last decade 2-Pyridone frameworks are a pervasive member of the N-heterocyclic family of both chemical and therapeutic interest. 2-Pyridones and their bridged analogues have wide occurrences in nature and the presence of both aromatic and amide groups in the compound makes it easily adaptable to various reactions of chemical interest. All these naturally occurring as well as synthesized 2-pyridone derivatives exhibit a multitude of biological responses. In this review, covering the last decade (2009–2022), respective synthetic procedures introducing different substitutions in the side chains of 2-pyridone motif as well as their various biological activities against bacteria, fungi, viruses, different cancer cells, and stress responses were discussed to scrutinize promising therapeutic value of these derivatives in the modern medicinal field. Amide ; Biological activity ; Chemical synthesis ; Biological organism Synthesis and biological activity ; Synthesis of heterocyclic compounds ; Synthesis and Characterization of Heterocyclic Compounds
Authors: Yasmin Zuschlag | Antje Pommereau | Jennifer Warkentin | Thomas Licher | Felix Bärenz
Source: Frontiers in Pharmacology (article, 2025-04-16)
Field: Chemistry — Spectroscopy

The development of a high-throughput acoustic droplet ejection mass-spectrometry assay and a solid-supported membrane (SSM)-based electrophysiological assay to study the pharmacological inhibition of SLC1-A3, -A2 and -A1 in a drug discovery program We endeavor to establish robust assays that can facilitate future drug discovery campaigns. Electrophysiology ; Mass spectrometry ; Chemistry ; Throughput ; Membrane ; Chromatography ; Neuroscience ; Biology ; Biochemistry ; Computer science ; Telecommunications Analytical Chemistry and Chromatography ; Innovative Microfluidic and Catalytic Techniques Innovation ; Ion channel regulation and function
Authors: Annelise Jean‐Fulcrand | Ewen Léger | Frédéric Dau | Martine Dubé | Ilyass Tabiai
Source: Composites Part A Applied Science and Manufacturing (article, 2025-07-02)
Field: Materials Science — Polymers and Plastics

Degradation mechanisms of CF/PPS, CF/PEI, and CF/PEEK under combined UV radiation and condensation From 1990 to 2020, the total weight of composites integrated in airplane structures increased from 5 to 50% contributing to reduce fuel consumption and CO 2 emission. However, environmental weathering conditions alter the stability and durability of load-bearing composite components. Three carbon fibre-reinforced high-performance thermoplastic composites — polyphenylene sulphide (PPS), polyether imide (PEI), and polyether ether ketone (PEEK) — used in aviation are exposed to combined ultraviolet radiation (UV), humidity and temperature, following ASTM D4329-21 for up to 28 days. To support characterisation, the corresponding neat polymer films of PPS, PEI, and PEEK were aged under the same conditions. The polymer matrix of the composites degraded following two distinct mechanisms. CF/PPS predominantly cross-linked, which resulted in increased brittleness, reduced crystallinity and increased in tensile strength after 28 days. In contrast, CF/PEI and CF/PEEK underwent primarily chain scission, leading to decreased T g (PEI), increased crystallinity (PEEK), and reduced tensile strength (CF/PEEK and CF/PEI) after exposure. • Degradation of carbon fibre-reinforced thermoplastic composites in aviation and aerospace. • Accelerated ageing of three thermoplastic composites (CF/PPS, CF/PEI, and CF/PEEK). • Ageing tests conducted in an environmental chamber with controlled UV, and humidity. • Degradation characterised by tensile testing, SEM, confocal microscopy, EDS, FTIR, and DSC. • CF/PPS undergoes increased cross-linking, CF/PEI and CF/PEEK degrade through chain scission. Peek ; Materials science ; Degradation (telecommunications) ; Composite material ; Condensation ; Radiation ; Chemical engineering ; Polymer ; Thermodynamics ; Optics Synthesis and properties of polymers ; Fiber-reinforced polymer composites ; Silicone and Siloxane Chemistry
Authors: Furui Chen | Guang–Lin Zhao | Gang Zhou
Source: Nano Research (article, 2025-02-11)
Field: Materials Science — Materials Chemistry

TiO <sub>2</sub>-supported Ni <sub>4</sub> quadruple-atom catalyst: A promising few-atom catalyst with high atomic utilization Using density functional theory calculations, we investigate the growth habit and structural stability of Ni<sub>4</sub> tetramer on TiO<sub>2</sub> (Ni<sub>4</sub>/TiO<sub>2</sub>), which acts as a representative of oxide-supported few-atom catalysts (FACs) ideally with high atomic utilization. We further analyze the structural characteristics and valence state distribution of metals of two structurally different Ni<sub>4</sub>/TiO<sub>2</sub> for comparative study in catalysis, typically as hydrogen-related applications. The planar rhombic and tetrahedral Ni<sub>4</sub>/TiO<sub>2</sub> feature the coordination environment of central metal atoms and the interfacial bonding from support interactions, respectively. Both structure-dependent binding characteristics and metal valence state distributions determine the active sites, catalytic activity, and reaction pathways and mechanisms in hydrogen production of the two catalysts. The planar rhombic structure exhibits high atomic utilization and outstanding catalytic activity, far exceeding those of the tetrahedral structure in this reaction. According to the atomic utilization and structure-dependent catalytic performance, we define and conceptualize the rising FACs, independent of cluster catalysts. These findings have implications for the design of suitable FACs and the creation of favorable conditions for multi-step reactions. Catalysis ; Atom (system on chip) ; Materials science ; Nanotechnology ; Atomic physics ; Chemistry ; Physics ; Computer science ; Organic chemistry Catalytic Processes in Materials Science ; Electrocatalysts for Energy Conversion ; Nanomaterials for catalytic reactions
Authors: Talía Tene | Lаla Gahramanli | Mustafa Muradov | Mahammad Baghir Baghirov | Goncha Eyvazova | Stefano Bellucci | Jéssica Alexandra Marcatoma Tixi | Cristian Vacacela Gómez | Rana F. Khankishiyeva | Lorenzo S. Caputi | Salvatore Straface
Source: Frontiers in Chemistry (article, 2025-11-28)
Field: Materials Science — Materials Chemistry

Graphene/Ag–Ag2S based hybrid nanostructure for methylene blue degradation In this study, novel 2D/1D graphene/silver-silver sulfide (Ag-Ag<sub>2</sub>S) hybrid nanocomposites were successfully synthesized and characterized using X-ray Diffraction (XRD), Ultraviolet-Visible (UV-Vis) spectroscopy, Fourier-transform infrared spectroscopy (FTIR), and Scanning Electron Microscopy (SEM). The structural-optical properties and dye-photodegradation performance of Ag nanowires (NWs), Ag-Ag<sub>2</sub>S core-shell NWs, and a 2D/1D graphene/Ag-Ag<sub>2</sub>S hybrid nanocatalyst were examined. SEM confirms uniform, non-agglomerated Ag NWs and a layered graphene morphology; after sulfidation, Ag<sub>2</sub>S (and incidental Ag<sub>2</sub>O) forms on Ag NW surfaces, while Ag-Ag<sub>2</sub>S NWs are randomly distributed across graphene sheets. XRD results confirm the presence of crystalline phases corresponding to Ag, Ag<sub>2</sub>S, and silver oxide (Ag<sub>2</sub>O), indicating successful hybridization and partial oxidation during synthesis. UV-Vis spectra show the two Ag localized surface plasmon resonances (LSPR) (∼350/380 nm) collapsing into a broadened band upon Ag<sub>2</sub>S shelling, consistent with higher dielectric loss and interfacial damping; graphene/Ag-Ag<sub>2</sub>S is dominated by a π-π* transition near 200-250 nm. Tauc analysis yields, E.g., ≈ 2.9 eV (Ag NWs), and after hybridization, approximately 2.5 eV (Ag<sub>2</sub>S), 3.8 eV (Ag), and 4.6 eV (Ag<sub>2</sub>O); the composite (graphene/Ag-Ag<sub>2</sub>S) exhibits two optical gaps (∼3.28 and 4.72 eV), reflecting its multiphase nature and graphene-induced states. Methylene blue (MB) degradation follows pseudo-first-order kinetics with the strongest linearity for graphene/Ag-Ag<sub>2</sub>S (R<sup>2</sup> ≈ 0.89-0.92). At pH 3, the hybrid achieves the highest removal efficiency (89.55% at 5 h) and the largest rate constant (k_obs = 0.5349 h<sup>-1</sup>). The synergy arises from assisted carrier generation in Ag, heterojunction-driven separation in Ag-Ag<sub>2</sub>S, and rapid electron transport/π-π adsorption on graphene, which together maximize radical formation and suppress recombination under acidic conditions. Scanning electron microscope ; Graphene ; Hybrid material ; Methylene blue ; Nanostructure ; Nanocomposite ; Oxide ; Adsorption Graphene research and applications ; Advanced Photocatalysis Techniques ; Gold and Silver Nanoparticles Synthesis and Applications
Authors: Carlos A. Ligarda-Samanez | Mary L. Huamán-Carrión | Jackson M’coy Romero Romero Plasencia | DANTE FERMIN CALDERON HUAMANI | Bacilia Vivanco Garfias | Jenny C. Muñoz-Saenz | Maria Magdalena Bautista Gómez | Jaime A. Martinez-Hernandez | Wilber César Calsina Ponce
Source: Pharmaceuticals (article, 2025-12-27)
Field: Materials Science — Biomaterials

Innovations in the Delivery of Bioactive Compounds for Cancer Prevention and Therapy: Advances, Challenges, and Future Perspectives Naturally occurring bioactive compounds represent a promising option for cancer prevention and therapy due to their ability to modulate apoptosis, angiogenesis, inflammation, oxidative stress, and cell signaling. However, their clinical impact is limited by low bioavailability, chemical instability, rapid metabolism, and poor tumor microenvironment accumulation. Innovative delivery platforms, including lipid and polymeric nanoparticles, liposomes, micelles, nanoemulsions, hydrogels, and stimulus-responsive systems, have been developed to improve stability, absorption, tumor specificity, and therapeutic efficacy. This review integrates molecular mechanisms, preclinical and clinical evidence, and recent technological advances, highlighting both potential and limitations. Although several compounds show encouraging results in cell and animal models, only a small number have progressed to early clinical trials, where outcomes remain heterogeneous and often fail to replicate preclinical magnitudes. Regulatory barriers, a lack of formulation standardization, and the absence of predictive biomarkers persist. Sustainability is also addressed through the valorization of agrifood by-products and green extraction processes. This review provides an integrative framework linking molecular mechanisms, advanced delivery technologies, clinical translation, and sustainability, offering a broader perspective than conventional reviews. Future perspectives emphasize multicenter trials, comparative designs, and the development of regulatory guidelines for nanoformulated bioactive compounds. Cancer prevention ; Preclinical testing ; Clinical trial ; Cancer therapy ; Sustainability ; Cancer ; Precision medicine ; Clinical efficacy Nanoparticle-Based Drug Delivery ; Nanoplatforms for cancer theranostics ; Cancer Research and Treatments
Authors: B. N. Patil | Sanjay J. Surana | Atul A. Shirkhedkar
Source: Cureus (review, 2025-04-14)
Field: Chemistry — Physical and Theoretical Chemistry

Co-crystallization in Antiepileptic Drugs: A Path Toward Better Therapeutic Outcomes Pharmaceutical cocrystals are highly valued in drug development as they can enhance active pharmaceutical ingredients (APIs)' physicochemical characteristics without changing their chemical structure. This is especially important for biopharmaceutical classification system (BCS) class II and IV drugs, which have poor water solubility, resulting in low bioavailability. Co-crystallization is the process of forming a crystalline solid where the API and a co-former are combined in a specified stoichiometric proportion within a crystal lattice, mainly stabilized by non-covalent interactions. This method can enhance properties like stability, dissolution rate, solubility, compressibility, and powder flowability and pharmacokinetics, resulting in an improved drug delivery system and therapeutic effectiveness. Pharmaceutical antiepileptic drugs (AEDs) are the main focus of this review. Pharmaceutical characteristics, conventional and advanced cocrystal generation, and assessment techniques, as well as recent developments related to cocrystals, may suggest perception for cocrystal potential, design approaches, and regulatory aspects. The study's overall finding emphasizes the growth of co-crystallization as a significant technique to enhance the drug's performance and also demonstrates its potential as a significant technique in the AED category and its future application. Medicine ; Antiepileptic drug ; Epilepsy ; Path (computing) ; Intensive care medicine ; Psychiatry Crystallography and molecular interactions ; Crystallization and Solubility Studies ; Coordination Chemistry and Organometallics
Authors: Gréta Törős | Hassan El-Ramady | Duyen H. H. Nguyen | Walaa Alibrahem | Nihad Kharrat Helu | Reina Atieh | Arjun Muthu | Szintia Jevcsák | Dávid Semsey | Neama Abdalla | Tamer Elsakhawy | Florence Alexandra Tóth | Péter Tamás Nagy | József Prokisch
Source: Pharmaceutics (review, 2025-10-27)
Field: Materials Science — Materials Chemistry

Green-Synthesized Nanomaterials from Edible and Medicinal Mushrooms: A Sustainable Strategy Against Antimicrobial Resistance Antimicrobial resistance (AMR) poses an escalating global health crisis, projected to cause up to 10 million deaths annually by 2050. Conventional antibiotics are increasingly ineffective due to microbial adaptation, overuse, and disruption of gut microbiota. Nanotechnology offers promising alternatives, but traditional nanoparticle synthesis often relies on toxic chemicals and energy-intensive processes. This review explores mushroom-derived nanoparticles (myco-NPs) as sustainable, eco-friendly antimicrobials. Edible and medicinal mushrooms contain bioactive compounds, including polysaccharides, flavonoids, and proteins, that act as reducing and stabilizing agents in nanoparticle biosynthesis. Myco-NPs exhibit antimicrobial activity through membrane disruption, oxidative stress, immune modulation, and biofilm inhibition, while also demonstrating synergistic effects with antibiotics and potential roles in regulating the gut microbiota. Recent advances highlight their potential applications in medicine, food safety, and environmental protection. However, challenges remain regarding standardization, safety evaluation, and large-scale production. We emphasize interdisciplinary collaboration as essential to translating mushroom-based nanotechnology into effective clinical and industrial solutions. Antimicrobial ; Antibiotic resistance ; Human health ; Antibiotics ; Applications of nanotechnology ; Biofilm Nanoparticles: synthesis and applications ; Graphene and Nanomaterials Applications ; Phytochemistry and Bioactivity Studies