jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Yanping Duan | Xia Zhao | Nan Xiang | Zhi-Feng Sun | Xiaoyun Lei | Wei Wang | Hao Hong | Jianfang Li
Source: Molecules (article, 2025-01-03)
Field: Materials Science — Materials Chemistry

Anisotropic Microparticles with a Controllable Structure via Soap-Free Seeded Emulsion Polymerization Anisotropic particles have a wide range of applications in materials science such as emulsion stabilization, oil-water separation, and catalysis due to their asymmetric structure and properties. Nevertheless, designing and synthesizing large quantities of anisotropic particles with controlled morphologies continue to present considerable challenges. In this study, we successfully synthesized anisotropic microspheres using a soap-free seed emulsion polymerization method. This approach combines the benefits of seed emulsion polymerization with emulsion interfacial polymerization. By varying the concentrations of dissolved polymeric monomers, 3-methacryloyloxypropyltrimethoxysilane (MPS), and the initiator of potassium persulfate (KPS), different shapes of bowl, cap, and three-sided concave particles were obtained in surfactant-free aqueous solutions, simplifying the post-treatment process. The cap particles are Janus particles with good emulsion stability to toluene/water emulsions over 30 days. The catalytic degradation of 4-nitrophenol (4-NP) was investigated after loading silver nanoparticles on the surface of the particles by in situ deposition. The anisotropic particles obtained in this work have potential applications in emulsion stabilization and catalysis. Emulsion ; Emulsion polymerization ; Chemical engineering ; Materials science ; Potassium persulfate ; Monomer ; Polymerization ; Pickering emulsion ; Nanoparticle ; Catalysis ; Aqueous solution ; Nanotechnology ; Chemistry ; Polymer ; Composite material ; Organic chemistry Pickering emulsions and particle stabilization ; Advanced Polymer Synthesis and Characterization ; Surfactants and Colloidal Systems
Authors: Kinga Robotnik | Tomasz Zieliński | Justyna Walczak‐Skierska | Ewelina Sibińska | Paulina Rudzik | Piotr Piszczek | Aleksandra Radtke | Paweł Pomastowski
Source: Nanomaterials (review, 2025-06-23)
Field: Chemistry — Spectroscopy

Synthesis of Silver Nanoparticles by Chemical Vapor Deposition Method and Its Application in Laser Desorption/Ionization Techniques Laser desorption/ionization techniques, such as matrix-assisted laser desorption/ionization (MALDI) and surface-assisted laser desorption/ionization (SALDI), are the basis of modern mass spectrometry, enabling the analysis of a wide range of chemical compounds, from small molecules to biopolymers. MALDI uses organic matrices to support ionization, while SALDI relies on inorganic surfaces or nanomaterials, which reduce background and improve measurement sensitivity. This review focuses on the potential of using silver nanoparticles (AgNPs) in LDI-MS, with particular emphasis on their synthesis from the gas phase (CVD, Chemical Vapor Deposition). The key role of nanostructures in increasing ionization efficiency and analytical selectivity is emphasized. The CVD technique enables precise control over the morphology, size, and distribution of nanoparticles, which translates into better repeatability and sensitivity of nanostructure-assisted laser desorption/ionization mass spectrometry (NALDI-MS) measurements. The latest achievements in this field are presented, as well as potential applications of CVD-produced AgNPs in analytical chemistry, environmental analysis, and the petrochemical industry. Mass spectrometry ; Desorption ; Ionization ; Nanomaterials ; Desorption electrospray ionization ; Silver nanoparticle ; Materials science ; Analytical Chemistry (journal) ; Nanoparticle ; Laser ; Matrix-assisted laser desorption electrospray ionization ; Atmospheric-pressure laser ionization ; Chemistry ; Nanotechnology ; Matrix-assisted laser desorption/ionization ; Chemical ionization ; Chromatography ; Photoionization ; Organic chemistry ; Adsorption ; Physics ; Optics ; Ion Mass Spectrometry Techniques and Applications ; Ion-surface interactions and analysis ; Analytical chemistry methods development
Authors: Marina Manica | Mirela Petruţa Şuchea | Dumitru Manica | Petronela Pascariu | Oana Brîncoveanu | Cosmin Romanițan | Cristina Pachiu | Adrian Dinescu | R. Müller | S. Antohe | Daniel Marcel Manoli | E. Koudoumas
Source: Nanomaterials (article, 2025-09-04)
Field: Materials Science — Materials Chemistry

Morphological and Optical Properties of RE-Doped ZnO Thin Films Fabricated Using Nanostructured Microclusters Grown by Electrospinning–Calcination In this study, we report the fabrication and multi-technique characterization of pure and rare-earth (RE)-doped ZnO thin films using nanostructured microclusters synthesized via electrospinning followed by calcination. Lanthanum (La), erbium (Er), and samarium (Sm) were each incorporated at five concentrations (0.1-5 at.%) into ZnO, and the resulting powders were drop-cast as thin films on glass substrates. This approach enables the transfer of pre-engineered nanoscale morphologies into the final thin-film architecture. The morphological analysis by scanning electron microscopy (SEM) revealed a predominance of spherical nanoparticles and nanorods, with distinct variations in size and aspect ratio depending on dopant type and concentration. X-ray diffraction (XRD) and Rietveld analysis confirmed the wurtzite ZnO structure with increasing evidence of secondary phase formation at high dopant levels (e.g., Er<sub>2</sub>O<sub>3</sub>, Sm<sub>2</sub>O<sub>3</sub>, and La(OH)<sub>3</sub>). Raman spectroscopy showed peak shifts, broadening, and defect-related vibrational modes induced by RE incorporation, in agreement with the lattice strain and crystallinity variations observed in XRD. Elemental mapping (EDX) confirmed uniform dopant distribution. Optical transmittance exceeded 70% for all films, with Tauc analysis revealing slight bandgap narrowing (Eg = 2.93-2.97 eV) compared to pure ZnO. This study demonstrates that rare-earth doping via electrospun nanocluster precursors is a viable route to engineer ZnO thin films with tunable structural and optical properties. Despite current limitations in film-substrate adhesion, the method offers a promising pathway for future transparent optoelectronic, sensing, or UV detection applications, where further interface engineering could unlock their full potential. Electrospinning ; Calcination ; Materials science ; Doping ; Thin film ; Chemical engineering ; Nanotechnology ; Optoelectronics ; Composite material ; Polymer ; Chemistry ; Catalysis ; Organic chemistry ZnO doping and properties ; Gas Sensing Nanomaterials and Sensors ; Copper-based nanomaterials and applications
Authors: Sofia Toldo | Lorenzo Poletti | Graziano Di Carmine | Olga Bortolini | Carmela De Risi | Simona Felletti | Greta Compagnin | Alessandro Massi | Daniele Ragno
Source: Advanced Synthesis & Catalysis (article, 2025-02-11)
Field: Materials Science — Materials Chemistry

Effective and Practical Stereoselective Synthesis of Nutlins Precursors by Immobilization of Privileged Chiral Mono‐Amidine Catalyst Abstract A strategy for the immobilization of Johnston's Mono(AMidine) catalyst ( MAM ) onto polystyrene, silica and hybrid silica‐polystyrene nanoparticles is presented. The catalyst activity was evaluated in the stereoselective aza‐Henry reaction leading to the pivotal β‐amino nitroalkane precursors of the anti‐cancer agents Nutlins (with Nutlin‐3a as the most active drug). The effect of the support and the linker on the catalytic performance was investigated, observing an interesting match/mismatch effect when using a chiral linker. The polystyrene‐supported 3‐pyrrolidinol‐linked PS‐( S )‐Pyr‐MAM organocatalyst showed the best activity among the tested catalysts, behaving very similarly to the homogeneous counterpart in the synthesis of a library of Nutlins precursors: yield up to 95%, ee up to 99%, and dr up to &gt;99:1. The catalyst recyclability was also assessed through simple filtration, yielding a satisfactory 93% ee after 5 cycles, showing only a moderate decrease in conversion efficiency (ca. 5% after each cycle), which resulted in an accumulated turnover number (TON) of 69.7. Chemistry ; Amidine ; Stereoselectivity ; Catalysis ; Combinatorial chemistry ; Organic chemistry Mesoporous Materials and Catalysis ; Analytical Chemistry and Chromatography ; Axial and Atropisomeric Chirality Synthesis
Authors: Maryam Niksefat | Reza Bagheri | Ali Pourjavadi
Source: Scientific Reports (article, 2025-12-11)
Field: Materials Science — Biomaterials

Biodegradable PBAT films with in situ synthesized tannic acid/ZnS nanohybrids for active packaging, offering antioxidant, antibacterial, and UV-shielding properties Active food packaging that provides antioxidant and antimicrobial protection can extend product shelf life, but adding such features to polymers often affects material performance. In this study, we developed a biodegradable poly(butylene adipate-co-terephthalate) (PBAT) film incorporating in situ synthesized tannic acid (TA)/zinc sulfide (ZnS) hybrid nanostructures to add antioxidant, antibacterial, and UV-shielding functions. The TA/ZnS nanohybrids were created using a green in situ co-precipitation method and evenly dispersed in the PBAT matrix to form nanocomposite films. The resulting films showed strong bioactivity, achieving 90.46% DPPH free radical scavenging and inhibition zones over 3.0 cm against both E. coli and S. aureus. They also offered about 97% UV blocking and improved moisture barrier properties, with a 40.9% decrease in water vapor permeability and a 13% increase in water contact angle (surface hydrophobicity). However, these improvements came with roughly a 30% reduction in tensile strength, highlighting a trade-off between added functionality and mechanical performance. Importantly, the composite kept enough flexibility and strength for practical applications. In conclusion, the organic–inorganic synergy between tannic acid and ZnS created a bioactive, UV-protective film that can help extend food shelf life while remaining biodegradable. This green, scalable method shows potential for sustainable next-generation active packaging. Tannic acid ; Active packaging ; In situ ; Ultimate tensile strength ; Shelf life ; Nanocomposite ; Food packaging ; Polymer ; Moisture Nanocomposite Films for Food Packaging ; Polymer composites and self-healing ; biodegradable polymer synthesis and properties
Authors: Álvaro Márquez | Supriyo Naskar | Dong Fan | Mohamed Eddaoudi | Guillaume Maurin
Source: Chemical Science (review, 2025-01-01)
Field: Chemistry — Inorganic Chemistry

MOF surface morphology governs interfacial pore architecture and CO <sub>2</sub> dynamics in mixed matrix membranes Mixed matrix membranes (MMMs), which embed metal-organic frameworks (MOFs) within polymers, offer a promising platform for next-generation, energy-efficient separations. However, the nano-structuring of the MOF/polymer interface and its influence on the MMM performance remains poorly understood. Here, we uncover two fundamental design principles that bridge this gap enabled by an automated, graph theory enhanced molecular simulation platform. First, we demonstrate that MOF surface morphology, specifically its planarity and roughness, plays a decisive role in shaping the topology of the interfacial pore network, including its dimensionality, connectivity, and spatial organization. Second, we show that this pore topology critically governs interfacial CO<sub>2</sub> dynamics: highly interconnected and continuous networks facilitate efficient translational and rotational motion, whereas fragmented architectures severely limit molecular mobility. Beyond providing a deep molecular-level understanding, this work introduces a new design paradigm: deliberate tuning of MOF surface morphology emerges as a powerful strategy to control interfacial nanostructure and optimize gas dynamics. Together, these findings open an unexplored pathway for the rational design of high-performance MMMs for advancing energy-efficient separation technologies. Rational design ; Membrane ; Molecular dynamics ; Nanostructure ; Topology (electrical circuits) ; Surface (topology) ; Network topology ; Microfluidics Metal-Organic Frameworks: Synthesis and Applications ; Gas Sensing Nanomaterials and Sensors ; Catalytic Processes in Materials Science
Authors: Bhimcharan Maiti | Erik V. Van der Eycken | Guglielmo A. Coppola
Source: Biomaterials Science (article, 2025-11-17)
Field: Materials Science — Surfaces, Coatings and Films

Catechol modification as a platform for functional coatings Catechol-based surface functionalization has emerged as a powerful strategy for tailoring material properties and enabling diverse applications, owing to its robust adhesive capabilities and broad substrate compatibility. Inspired by mussel foot proteins and popularized by dopamine-derived polydopamine coatings, catechol grafting has evolved into a versatile platform for anchoring molecules of interest (MOI) onto surfaces. This review focuses on the synthetic strategies for direct covalent modification of active compounds-such as polymers, peptides, and small molecules-with catechol moieties, bypassing the limitations of traditional bottom-up and co-deposition approaches. By examining the reactivity profiles of catechol precursors and their coupling chemistries, we aim to provide a comprehensive framework for designing functional coatings with enhanced performance and simplified processing. This work fills a critical gap in the literature by offering practical guidelines for researchers seeking to harness catechol chemistry in advanced material engineering. Catechol ; Surface modification ; Covalent bond ; Substrate (aquarium) ; Grafting ; Adhesive Polymer Surface Interaction Studies ; Molecular Junctions and Nanostructures ; Supramolecular Self-Assembly in Materials
Authors: Yunfeng Guo | Jiayu Liu | Chun‐Xia Zhao | Wuming Fan | Linlin Zhao | Zefang Xiao | Yanjun Xie | Dong Wang | Yonggui Wang
Source: Advanced Composites and Hybrid Materials (article, 2025-12-01)
Field: Materials Science — Surfaces, Coatings and Films

Electrospun superwetting membranes with vertically aligned COF nanorods for high-efficiency oil–water emulsion separation The design of wettable membranes with tailored micro- and nanostructures for the efficient separation of oily wastewater remains a challenge. Herein, a cellulose acetate nanofiber/covalent organic framework (ETCNF/COF) composite membrane was fabricated, featuring vertically aligned COF nanorods, achieved via an electrospinning-assisted, amino-mediated in situ confined growth method. Utilizing this vertically arranged COF micro/nano rough structure, the superhydrophobic ETCNF/COF-ODM membrane and superhydrophilic ETCNF/COF-CHA membrane was constructed using thiol-ene click chemical grafting of octadecylthiol (ODM) and cysteamine hydrochloride (CHA) methods, respectively. As a result, the ETCNF/COF-ODM membrane exhibited excellent superhydrophobicity (contact angle > 150°) and self-cleaning properties, enabling the efficient separation of water-in-oil emulsions with a separation efficiency exceeding 99%. In contrast, the ETCNF/COF-CHA membrane exhibited outstanding superhydrophilicity (contact angle approaching 0°) and underwater superoleophobicity (underwater oil contact angle > 150°), achieving high-efficiency separation of oil-in-water emulsions with a separation efficiency above 99%. The superior superwetting performance of both membranes is attributed to the synergistic construction of hierarchical porous superwetting interfaces by the COF and the electrospun substrates. In conclusion, the in situ domain-limited growth of vertically aligned COF nanorods for superwetting membranes by electrostatically spun membranes provides an effective strategy for advancing the development of oil-water separation technology. Membrane ; Superhydrophilicity ; Emulsion ; Contact angle ; Porosity ; Nanorod ; Electrospinning ; Bacterial cellulose ; Wetting Surface Modification and Superhydrophobicity ; Membrane Separation Technologies ; Polymer composites and self-healing
Authors: Erick Kipngetich Towett | Douglas Kemboi | Jacqueline Vuyelwa Tembu | Moses K. Langat | Amanda‐Lee E. Manicum
Source: Preprints.org (preprint, 2025-06-27)
Field: Chemistry — Organic Chemistry

Review of Recent Medicinal Applications of Rhenium(I) Tricarbonyl Complexes The use of metal-based complexes is currently taking center stage in the field of nanomedicine for the treatment and control of various ailments. Rhenium(I) tricarbonyl complexes have frequently been evaluated in vitro for their anticancer activities, and a few have advanced to in vivo and clinical trials, owing to the distinct application characteristics of these complexes. Their inception in drug development is key. This study explores a detailed chronological overview of the medical applications of Re(I) tricarbonyl complexes over the past six years (2019-2024), focusing on their applications and clinical tests in the control and management of various ailments. An in-depth examination of their activities in anticancer treatments, Chagas disease, antifungal infections, antimalarial, and microbial infections was conducted, comparing the complexes to various standard antibiotics, conventional antimalarial drugs, antifungals, and standard anticancer agents. Rhenium ; Chemistry ; Computer science ; Nanotechnology ; Materials science ; Organic chemistry Synthesis of Tetrazole Derivatives ; Computational Drug Discovery Methods ; Click Chemistry and Applications
Authors: V. Latinì | Agnieszka Feliczak‐Guzik | Agata Wawrzyńczak
Source: Cosmetics (article, 2025-06-25)
Field: Materials Science — Materials Chemistry

Application Possibilities of Sustainable Nanostructured Silica-Based Materials in Cosmetics Nanostructured silica-based materials, including mesoporous silica nanoparticles (SiNPs), show a wide range of applications in various areas, such as food, pharmaceutical, and cosmetic industries. This is mainly due to their unique properties, namely biocompatibility, stability, adjustable pore size, a highly developed specific surface area, and simplicity in surface modification. Currently, special emphasis is placed on obtaining nanostructured silica-based materials using so-called green methods, which not only reduce toxic by-products, but also enable the use of raw materials from plants, agricultural and industrial waste, as well as bacteria or fungi. This trend is particularly evident in the cosmetic industry, which is striving to reduce the adverse environmental and social impacts of cosmetic production. Therefore, this article presents a review of the literature from the last ten years, which describes issues related to the possibilities of replacing synthetic silica-based ingredients in cosmetic products with their more environmentally friendly counterparts. Special emphasis has been placed on the application possibilities of sustainable nanostructured silica-based materials and their potential toxicity in topical formulations. The possibilities of obtaining nanostructured silica-based materials through green synthesis and using natural silica precursors have been briefly presented, as well as the options for modifying the surface of these materials. Cosmetics ; Nanotechnology ; Materials science ; Process engineering ; Biochemical engineering ; Chemistry ; Organic chemistry ; Engineering Nanoparticles: synthesis and applications ; Laser-Ablation Synthesis of Nanoparticles ; Pigment Synthesis and Properties
Authors: Norma Mallegni | Serena Coiai | Francesca Cicogna | Luca Panariello | Caterina Cristallini | Stefano Caporali | Elisa Passaglia
Source: Polymers (article, 2025-05-27)
Field: Materials Science — Biomaterials

Enhancing the Performance of PLA Nonwoven Fabrics Through Plasma Treatments for Superior Active-Molecule Retention Polylactic acid (PLA) is a promising biobased polymer celebrated for its biocompatibility, biodegradability, and advantageous mechanical properties. However, its inherent hydrophobicity and lack of hydrophilic functional groups restrict its application in advanced uses, such as nonwoven fabrics (NWFs) for masks, diapers, and biomedical products. This study explores the application of cold plasma treatments to modify the surface of PLA-based NWFs using oxygen and oxygen-argon gas mixtures. We varied power levels and exposure times to optimize surface activation. The samples treated with plasma under different conditions were analyzed to understand the impact of these treatments on the surface functionalization, morphology, and thermal properties of PLA_NWF. Additionally, as a proof of concept, the plasma-treated samples were dip-coated in green tea extract, which is rich in (-)-epigallocatechin gallate (EGCG), a natural antioxidant. The findings demonstrate that plasma treatment significantly enhances the adhesion and functionality of the active ingredient, thereby paving the way for innovative sustainable applications of surface-activated PLA-NWFs in the biomedical and cosmetic sectors or food preservation. Nonwoven fabric ; Materials science ; Plasma ; Molecule ; Chemical engineering ; Composite material ; Chemistry ; Organic chemistry ; Engineering biodegradable polymer synthesis and properties ; Electrospun Nanofibers in Biomedical Applications ; Microplastics and Plastic Pollution
Authors: Monika Zielińska–Pisklak | Patrycja Siekacz | Z. Stokłosa | Łukasz Szeleszczuk
Source: Molecules (review, 2025-09-28)
Field: Chemistry — Organic Chemistry

A Comprehensive Review of Substitutional Silicon-Doped C60 Fullerenes and Their Endohedral/Exohedral Complexes: Synthetic Strategies and Molecular Modeling Approaches Silicon-doped C<sub>60</sub> fullerenes represent a distinctive class of heterofullerenes with tunable structural, electronic, and chemical properties arising from substitutional incorporation of Si atoms into the carbon cage. This review provides a comprehensive analysis of substitutional Si-C<sub>60</sub> systems and their endohedral and exohedral complexes, with emphasis on synthesis strategies, structural features, and theoretical investigations. Experimental methods, including laser vaporization and arc discharge of Si-containing graphite targets, have enabled the preparation of Si-doped fullerenes, although challenges remain in controlling the dopant number, position, and distribution. Computational studies, dominated by density functional theory and molecular dynamics simulations, elucidate the effects of Si substitution on cage geometry, HOMO-LUMO modulation, charge localization, aromaticity, and finite-temperature stability. Exohedral functionalization and endohedral encapsulation of Si-doped cages significantly enhance their potential for applications in sensing, catalysis, energy storage, and nanomedicine. Si incorporation consistently strengthens adsorption of small molecules, pharmaceuticals, biomolecules, and environmental pollutants, often transforming weak physisorption into strong chemisorption with pronounced electronic and spectroscopic changes. The synergistic insights from experimental and theoretical work establish Si-doped fullerenes as versatile, electronically responsive nanoplatforms, offering a balance between stability, tunability, and reactivity, and highlighting future opportunities for targeted synthesis and application-specific design. Physisorption ; Fullerene ; Dopant ; Density functional theory ; Chemisorption ; Molecular dynamics ; Graphite ; Electronic structure Fullerene Chemistry and Applications ; Graphene research and applications ; Carbon Nanotubes in Composites