jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Maud Nivard | Francisco Ortega | Ramón G. Rubio | Eduardo Guzmán
Source: Polymers (article, 2025-01-15)
Field: Materials Science — Surfaces, Coatings and Films

Adsorption and Bulk Assembly of Quaternized Hydroxyethylcellulose–Anionic Surfactant Complexes on Negatively Charged Substrates This study examines the adsorption and bulk assembly behaviour of quaternized hydroxyethylcellulose ethoxylate (QHECE)-sodium dodecyl sulphate (SDS) complexes on negatively charged substrates. Due to its quaternized structure, QHECE, which is used in several industries, including cosmetics, exhibits enhanced electrostatic interactions. The phase behaviour and adsorption mechanisms of QHECE-SDS complexes are investigated using model substrates that mimic the wettability and surface charge of damaged hair fibres. Two preparation methodologies, <i>high-concentration mixing</i> and <i>gradient-free mixing</i>, were employed to examine their impact on the complex equilibrium, phase behaviour, and adsorption properties of the complexes. The measurements of turbidity, electrophoretic mobility, and conductivity demonstrate the existence of nonequilibrium dynamics during the mixing process, which exert a significant influence on the structural and functional characteristics of the complexes. The quartz crystal microbalance with dissipation monitoring (QCM-D) was employed to investigate the adsorption of the complexes onto the substrates. The results demonstrated the critical role of intermediate SDS concentrations in enhancing deposition. The findings emphasise the importance of formulation and preparation protocols in designing stable, high-performance cosmetic products. This research advances our understanding of polyelectrolyte-surfactant interactions and provides insights into optimising QHECE-based formulations. Quartz crystal microbalance ; Adsorption ; Chemical engineering ; Polyelectrolyte ; Pulmonary surfactant ; Wetting ; Chemistry ; Mixing (physics) ; Phase (matter) ; Materials science ; Polymer ; Organic chemistry Polymer Surface Interaction Studies ; Surfactants and Colloidal Systems ; Pickering emulsions and particle stabilization
Authors: Diego I. Figueroa‐Figueroa | Francisco Hernández‐Luis
Source: Medicinal Chemistry Research (article, 2025-06-11)
Field: Chemistry — Organic Chemistry

Advances in ferrocene photosensitizers: illuminating new avenues in the medicinal chemistry of cancer Abstract Photodynamic therapy (PDT) is a promising treatment for diseases like cancer and microbial infections, relying on light-activated photosensitizers to generate cytotoxic reactive oxygen species. While PDT has shown clinical success, developing novel photosensitizers with improved properties remains challenging. Ferrocene, with its unique stability, redox activity, and tunability, offers an attractive scaffold for this purpose. This review delves into the recent advancements in ferrocene-based photosensitizers, exploring their design strategies, mechanisms of action, and diverse applications in medicinal chemistry. We critically discuss their potential, comparing structure-activity relationships across various ferrocene derivatives and evaluating their performance in in vitro cell line assays. Additionally, we address current challenges and future directions, highlighting their potential to significantly advance PDT and offer new therapeutic avenues. Chemistry ; Ferrocene ; Photodynamic therapy ; Nanotechnology ; Organic chemistry ; Physical chemistry ; Electrochemistry ; Materials science Ferrocene Chemistry and Applications ; Advanced biosensing and bioanalysis techniques ; DNA and Nucleic Acid Chemistry
Authors: Shun Wang | Weidi Zeng | Qing An | Lingfei Duan | Zhiwei Zuo
Source: Nature Communications (article, 2025-07-04)
Field: Chemistry — Organic Chemistry

LMCT-driven electron relay unlocks alcohols as tunable reductants for nickel-catalyzed cross-electrophilic couplings Photoinduced electron transfer is fundamental to both biological and synthetic processes; however, modulating back electron transfer (BET) remains a formidable challenge in achieving more efficient photocatalytic transformations. In this work, we present a strategy to regulate electron transfer dynamics via ligand-to-metal charge transfer (LMCT) catalysis, wherein the rapid β-scission of alkoxy radicals is harnessed to suppress BET, thereby facilitating the efficient transfer of reducing equivalents to drive transition metal-mediated reductive cross-coupling reactions. By strategically utilizing a diverse array of alcohol reductants, such as methanol and pinacol, we employ a cerium benzoate catalyst to enable reductive processes not through modulation of redox potentials, but by promoting synchronized electron transfer. Detailed mechanistic investigations reveal that the photoinduced electron relay process, governed by LMCT-BET, plays a pivotal role in effectively delivering reducing equivalents to catalytic sites, underscoring its significance in optimizing catalytic efficiency. Electrophile ; Nickel ; Catalysis ; Relay ; Photochemistry ; Chemistry ; Physics ; Organic chemistry Radical Photochemical Reactions ; Catalytic C–H Functionalization Methods ; CO2 Reduction Techniques and Catalysts
Authors: Preiti Deol | Mitali Madhumita | P. Verma | Amit Kumar | Ravinder Kaushik | Chin Wei Lai
Source: Journal of Food Science (review, 2025-12-01)
Field: Materials Science — Biomaterials

Recent Advances in Polysaccharide‐Based Edible Films Using Natural Extracts and Their Potential Food Applications Conventional food packaging generates synthetic material, which has significant adverse effects on the environment. Natural extracts have been added to polysaccharide-based edible films, with a focus on the value-adding of agro-industrial waste (rice husks, fruit peels, and herbal extracts) as useful additives. These natural polymers, which include chitosan, alginate, cellulose, and starch, offer a lot of potential for use in filmmaking. These films have been well adapted for various food applications for preservation, enhancement of food quality, and shelf-life extension. The bioactive components enhance the shelf life of wrapped goods by inhibiting oxidative breakdown and microbiological growth, in addition to enhancing film functionality. This review provides a thorough overview of physicochemical properties, functional features, and preparation methods of prominent polysaccharide-based edible films, intelligent food packaging, challenges and also focusing on sub-lethal enhancement of performance through incorporation of lipids, proteins, essential oils (EO's), and nanomaterials. Future scopes comprise the evolution of composite and multilayer structures, intelligent packaging systems, and integration with electronic tracking technology. Active packaging ; Food packaging ; Shelf life ; Food products ; Natural food ; Food industry ; Natural (archaeology) ; Food systems Nanocomposite Films for Food Packaging ; Advanced Cellulose Research Studies ; Postharvest Quality and Shelf Life Management
Authors: Di Gao | Run Li | Ya Huang | Siming Zhao | Yilin Ding | Yanlong Zhao | Xinnong Wang | Zhuojing Zhao | Lan Fan | Rufan Zhang
Source: Cell Reports Physical Science (article, 2025-07-01)
Field: Materials Science — Polymers and Plastics

A high-performance electrochromic polymer based on narrow-band-gap conducting (quasi)-metallic polypyrrole derivatives <h2>Summary</h2> Narrow-band-gap electrochromic (EC) polymers are potentially applied in, among other things, smart windows, flexible non-emissive electronic displays, and adaptive camouflage. However, the development of electroactive polymers that exhibit a broad spectrum of saturated colors and superior cyclic stability remains a big challenge. Here, we report a donor-acceptor polypyrrole derivative, PPy-BTH, which achieves comprehensive absorption across the visible spectrum through the incorporation of an optimal acceptor unit, <i>benzo-2,1,3-thiazole (BTH).</i> This PPy-BTH film exhibits narrow band gap (0.35 eV) and high carrier mobility (32.5 cm<sup>2</sup> V<sup>−1</sup> s<sup>−1</sup>), which contribute to dynamic EC behavior with high optical contrast and vivid color saturation, operable at low voltages. It transitions through a spectrum of colors: bright yellow (−1.0 V), greenish yellow (−0.5 V), gray (−0.1 V), reddish (0.3 V), and blue (0.5 V), respectively, with ultrafast coloration and bleaching switching times of 0.7 and 0.2 s, alongside robust stability. This study provides the potential of narrow-band-gap donor-acceptor polymers for advancing high-performance EC displays. Polypyrrole ; Electrochromism ; Conductive polymer ; Materials science ; Metal ; Polymer ; Band gap ; Electrical conductor ; Optoelectronics ; Composite material ; Chemistry ; Electrode ; Polymerization ; Metallurgy Conducting polymers and applications ; Transition Metal Oxide Nanomaterials ; Polyoxometalates: Synthesis and Applications
Authors: L. Ferretti | Pietro Russo | Jessica Passaro | Francesca Nanni | Saverio D’Ascoli | Francesco Fabbrocino | Mario Bragaglia
Source: Materials (article, 2025-07-23)
Field: Materials Science — Materials Chemistry

Sustainable Thermoelectric Composites: A Study of Bi2Te3-Filled Biobased Resin In this work, bio-based thermoelectric composites were developed using acrylated epoxidized soybean oil (AESO) as the polymer matrix and bismuth telluride (Bi<sub>2</sub>Te<sub>3</sub>) as the thermoelectric filler. The materials were formulated for both UV-curing and thermal-curing processes, with a focus on Digital Light Processing (DLP) 3D printing. Although UV curing proved ineffective at high filler concentrations due to the light opacity of Bi<sub>2</sub>Te<sub>3</sub>, thermal curing enabled the fabrication of stable, homogeneously dispersed composites. The samples were thoroughly characterized through rheology, FTIR, TGA, XRD, SEM, and density measurements. Thermoelectric performance was assessed under a 70 °C temperature gradient, with Seebeck coefficients reaching up to 51 µV/K. Accelerated chemical degradation studies in basic media confirmed the degradability of the matrix. The results demonstrate the feasibility of combining additive manufacturing with sustainable materials for low-power thermoelectric energy harvesting applications. Materials science ; Thermoelectric effect ; Composite material ; Curing (chemistry) ; Thermoelectric generator ; Fourier transform infrared spectroscopy ; Chemical engineering Advanced Thermoelectric Materials and Devices ; Innovative Energy Harvesting Technologies ; Advanced Sensor and Energy Harvesting Materials
Authors: Timo Herrmann | Nina Angrisani | Janin Reifenrath | Jessica Meißner | Adrian Hannebauer | Lukas Mönkeberg | Valentin Hagemann | Irene Morales | Peter Behrens | Nina Ehlert | Sebastian Polarz
Source: Journal of Materials Chemistry B (article, 2025-01-01)
Field: Chemistry — Spectroscopy

Stimuli-responsive core–shell–shell nanocarriers for implant-directed magnetic drug targeting The treatment of implant-associated infections is still a major topic in medical-related research. As an evolution of classical systemic therapy, many approaches target local treatment at the infection site. Here, we present an innovative material approach to overcome the challenges of this local drug delivery. As an effective nanocarrier, we chose nanoporous silica, which fulfills the need for a high capacity to load antibacterial drugs. Combined with a magnetic iron oxide core, these core-shell particles provide a sophisticated drug-delivery system that allows targeted drug delivery to the desired tissue <i>via</i> a magnetic field. However, the release profile often reveals the problem of an uncontrolled burst release of the incorporated drug in physiological media, leading to the loss of the cargo <i>en route</i> to the site of infection and resulting in an ineffective treatment of implant-associated infection. A pH-responsive polymer shell can provide an elegant solution, as the acidic pH occurring during an infection (pH 5-6) can trigger the release precisely, preventing an early release of the drug. In this study, we selected poly(2-(diethylamino)ethyl methacrylate) (PDEMA) with a perfect fitting isoelectric point of 6.7 for the establishment of a pH-responsive polymer shell. Furthermore, we addressed the issue of a poorly stable dispersion of particles functionalized with hydrophobic polymers in physiological media by adding a sulfonic acid modification to the inner pore surface of the nanoparticles. This modification influenced the amount of attached polymer and the drug release profiles. It was also useful to increase the incorporated amount of enrofloxacin. In summary, we present innovative and effective core-shell-shell nanocarriers based on magnetic nanoporous silica nanoparticles functionalized with a pH-responsive polymer for the pH-triggered delivery of the antibiotic enrofloxacin and suitable for targeting using a magnetic field. Nanocarriers ; Shell (structure) ; Implant ; Materials science ; Nanotechnology ; Drug ; Drug delivery ; Targeted drug delivery ; Medicine ; Pharmacology ; Surgery ; Composite material Aerogels and thermal insulation ; Bone Tissue Engineering Materials ; Nanoparticle-Based Drug Delivery
Authors: Nathaniel E. Larm | Christopher D. Stachurski | Paul C. Trulove | Xiaonan Tang | Yun Shen | David P. Durkin | Gary A. Baker
Source: ACS Nanoscience Au (article, 2025-01-07)
Field: Chemistry — Organic Chemistry

Role of Heavy Water in the Synthesis and Nanocatalytic Activity of Gold Nanoparticles Heavy water (D<sub>2</sub>O) has found extensive application as a moderator in nuclear reactors. Additionally, it serves as a substitute for regular water (H<sub>2</sub>O) in biological or spectroscopic experiments, providing a deuterium source and addressing challenges related to solvent opacity or contrast. This is particularly relevant in experiments involving neutron scattering, infrared absorption, or nuclear magnetic resonance. However, replacing H<sub>2</sub>O with D<sub>2</sub>O is not always a straightforward or harmless substitution and can instead have unintended chemical consequences. In this study, we highlight the significant impact of solvent deuteration on two common gold nanoparticle syntheses-borohydride reduction and ascorbic acid reduction-by comparing reactions in D<sub>2</sub>O and H<sub>2</sub>O and mixtures thereof. The resulting colloids exhibit differences in size and spectral characteristics, and their effectiveness as nanocatalysts in the widely used 4-nitrophenol reduction benchmark reaction is adversely affected by the presence of D<sub>2</sub>O during both particle synthesis and as the catalytic medium. Ultimately, these results underscore a critical awareness often overlooked by scientists and engineers: despite its widespread and sometimes indispensable use in analytical spectroscopy, cellular imaging, biophysics, and organic chemistry, D<sub>2</sub>O cannot truly replace H<sub>2</sub>O without significantly altering the chemical environment of a reaction. Colloidal gold ; Nanoparticle ; Nanotechnology ; Business ; Materials science Nanomaterials for catalytic reactions ; Molecular Communication and Nanonetworks ; Chemical Reactions and Isotopes
Authors: Edison Rafael Jimenez Granda | H. Karoui | Xavier Brilland | Jean‐Christophe Baret | Nicolas Martin
Source: Chemistry - A European Journal (article, 2025-04-17)
Field: Materials Science — Materials Chemistry

Light‐Responsive Mononucleotide Coacervates Liquid-liquid phase separation (LLPS) is central to the formation of biomolecular condensates in modern cells and is also explored as a mechanism for assembling protocells. Phase-separated droplets provide dynamic micro-environments that concentrate reactants, enhance reactions, and allow molecular exchange, essential for both cellular regulation, and adaptive compartmentalization. While modern cells achieve dynamic LLPS through enzymatic and metabolic pathways, protocells may be designed to harness external stimuli such as pH, temperature, redox potential, or light. However, existing studies of light-responsive coacervates rely on complex biomolecules, limiting their use as minimal platforms of energy-driven phase separation. Here, we develop a minimal system of light-responsive coacervates composed of low-molecular-weight species: mononucleotides and azobenzene-based amphiphiles with varying charge valency. These coacervates undergo reversible phase transitions through azobenzene photoisomerization, with their behavior governed by charge valency and nucleotide structure. We demonstrate that coacervates formed with high-valency azobenzenes remain stable under UV irradiation but exhibit significant property changes, while those with low-valency azobenzenes dissolve, enabling light-controlled nucleotide release. Additionally, we achieved hierarchical droplet organization and light-actuated biomolecular localization within multiphase systems. Overall, these findings establish a minimal platform for designing light-responsive synthetic protocells, providing insights into dynamic compartmentalization in de novo life-like systems. Coacervate ; Protocell ; Azobenzene ; Nanotechnology ; Chemistry ; Biomolecule ; Valency ; Biophysics ; Chemical physics ; Materials science ; Biochemistry ; Biology ; Molecule ; Membrane ; Organic chemistry Pickering emulsions and particle stabilization ; Algal biology and biofuel production ; Lipid Membrane Structure and Behavior
Authors: A. Frechilla | Javier Frechilla | L.A. Angurel | Fidel Toldrá‐Reig | Francisco Balas | Elena Martínez | Germán F. de la Fuente | David Muñoz‐Rojas
Source: RSC Applied Interfaces (article, 2025-01-01)
Field: Materials Science — Materials Chemistry

Laser annealing of transparent ZnO thin films: a route to improve electrical conductivity and oxygen sensing capabilities Ultra-short-pulse laser radiation has been used to modulate the electrical conductivity of ZnO thin films deposited by spatial atomic layer deposition. Resistance time evolution exhibits high sensitivity to oxygen concentration in the environment. Materials science ; Annealing (glass) ; Thin film ; Optoelectronics ; Electrical resistivity and conductivity ; Conductivity ; Laser ; Oxygen ; Nanotechnology ; Composite material ; Optics ; Electrical engineering ; Chemistry ; Engineering ZnO doping and properties ; Electronic and Structural Properties of Oxides
Authors: Krishnakumar Sachidanandan | Cole Stenftenagel | Alexander M. Cluff | Grace A. McAlary | Athul Joshy | Ben Niu | Sébastien Laulhé
Source: Organic Letters (article, 2025-05-26)
Field: Chemistry — Organic Chemistry

Sequential EDA/HAT Enables C(sp<sup>3</sup>)–C(sp<sup>3</sup>) Cross-Dehydrogenative Coupling: Accessing Non-Canonical Amino Acids with Quaternary Carbon Centers from Activated and Non-Activated Alkanes Current strategies for the alkylation of amino acids via C(sp<sup>3</sup>)-H functionalization require the use of transition metals, often in the presence of excess peroxides at high temperatures. Herein, we developed a unique electron-donor-acceptor (EDA) system using aryl halides and <i>N</i>-phenylglycine derivatives to achieve a C(sp<sup>3</sup>)-C(sp<sup>3</sup>) cross-dehydrogenative coupling that gives access to noncanonical amino acids. This metal- and photocatalyst-free protocol enables functionalization of ethers and unactivated alkanes via a hydrogen-atom transfer (HAT) process performed by an in situ generated aryl radical. The reaction proceeds via radical-radical coupling, which enables the formation of sterically demanding quaternary carbon centers and delivers site-selective α-functionalized <i>N</i>-phenylglycine moieties even when appended to complex bioactive molecules or small peptides. Chemistry ; Quaternary carbon ; Coupling (piping) ; Carbon fibers ; Stereochemistry ; Organic chemistry ; Enantioselective synthesis ; Catalysis Catalytic C–H Functionalization Methods ; Catalytic Cross-Coupling Reactions ; Asymmetric Hydrogenation and Catalysis
Authors: Surbhi Grewal | Petr Slávik | Vladimír Šindelář
Source: Angewandte Chemie International Edition (article, 2025-07-29)
Field: Chemistry — Spectroscopy

A Bambusuril Receptor Binds Charge Diffuse Anions in Water at Picomolar Concentrations Anionic pollutants are widespread in the environment and pose risks to human health. Due to the typically low concentrations of these species, the development of efficient receptors for their detection and removal from aqueous solutions is highly desirable. Here, we report the design and synthesis of a bambusuril receptor with markedly enhanced anion-binding affinity in water, achieved by introducing trifluoromethyl electron-withdrawing groups. The resulting fluorinated receptor is, to date, the most potent known receptor for several charge diffuse anions in aqueous media. The most stable 1:1 host-guest complex in water was observed with iodide, exhibiting a relative dissociation constant of 59 pM. This complex is over three orders of magnitude more stable than any previously reported complex between an artificial receptor and inorganic anion in water. Chemistry ; Biophysics ; Receptor ; Charge (physics) ; Biochemistry ; Biology ; Physics Molecular Sensors and Ion Detection ; Analytical Chemistry and Chromatography ; Lipid Membrane Structure and Behavior
Authors: Vishesh Kumar | Sunil Kumar Patel | Shivali Dhingra | Deepak Kumar | Ved Vyas | Kamalakannan Kailasam | E. Siva Subramaniam Iyer | Arindam Indra
Source: Journal of Materials Chemistry A (article, 2025-01-01)
Field: Chemistry — Organic Chemistry

Z-Scheme heterojunction formation between CsPbBr <sub>3</sub> and BiOBr: key to singlet oxygen formation for selective semidehydrogenation of tetrahydroisoquinoline Z-scheme heterojunction between CsPbBr 3 quantum dots and BiOBr nanosheets optimized the conduction band and valence band redox potentials, regulating the 2e − oxidation of tetrahydroisoquinoline to 3,4-dihydroisoquinoline through O 2 activation. Heterojunction ; Singlet oxygen ; Quantum dot ; Tetrahydroisoquinoline ; Valence (chemistry) ; Perovskite (structure) ; Redox Chemical Synthesis and Reactions ; Asymmetric Synthesis and Catalysis ; Asymmetric Hydrogenation and Catalysis