jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Carina Jung | Vanja Munk | Xueqing Zhang | Volker Mailänder | Katharina Landfester
Source: Nanoscale Horizons (article, 2025-11-12)
Field: Materials Science — Surfaces, Coatings and Films

Continuous phase hydrophobicity exerts substantial influence on the surface functional group prevalence in protein nanocapsules synthesized in inverse miniemulsion Precise control over surface properties is crucial for the design of nanocarriers in biomedical applications. These properties influence biological interactions. Functional co-monomers can be used to tailor the surface chemistry of nanocarriers synthesized in radical heterophase polymerization in aqueous phase. However, achieving similar control over nanocarriers derived from natural materials in inverse miniemulsion, such as protein nanocapsules, remains challenging. Here, we demonstrate how the surface functional group density of protein nanocapsules can be tuned systematically by varying the hydrophobicity of the continuous phase during the synthesis <i>via</i> the click reaction between hydrophilic azide-modified proteins and a hydrophobic dialkyne crosslinker. By adjusting the solvent mixture of toluene and cyclohexane, the interfacial properties of the droplets are modified, influencing the partial denaturation of the protein and orientation of the amine-terminated lysine residues. This, in turn, affects the accessibility of the azide groups for the crosslinking. Changes in solvent composition furthermore influence the solubility and reactivity of the crosslinker, thereby modulating the degree of azide functionalization. This allows for precise control over the number of unreacted azide groups available for subsequent biorthogonal click reactions. We demonstrate that the multifunctional surface, with amine, azide and alkyne groups, enables the simultaneous attachment of different molecules to the nanocapsule. Finally, we show that while changes in continuous phase hydrophobicity lead only to minor changes in protein corona composition, they significantly affect macrophage uptake, likely due to differences in surface amine density. Our combined findings provide a novel approach for tailoring the surface functionality of nanocapsules, facilitating more precise and versatile biofunctionalization strategies, particularly for targeted drug delivery. Nanocarriers ; Miniemulsion ; Surface modification ; Azide ; Solubility ; Nanocapsules ; Polymerization ; Functional group ; Solvent Polymer Surface Interaction Studies ; Advanced Polymer Synthesis and Characterization ; Surface Modification and Superhydrophobicity
Authors: Şeyda Taşar | Ömer İpek | Neslihan Duranay
Source: Journal of the Turkish Chemical Society Section B Chemical Engineering (article, 2025-04-08)
Field: Materials Science — Biomaterials

Production and Characterization of Chitosan-Based Magnetic Field-Sensitive Beads: A Comprehensive Study on Synthesis, Structural Properties, and Environmental Applications The primary objective of this study was to synthesize chitosan-based magnetic bead sorbents (MCS) and evaluate their effectiveness in the sorption of both organic solvents and distilled water. In the initial phase, chitosan-based polymeric beads were synthesized using the precipitation-aggregation method, followed by comprehensive characterization using appropriate instrumental and analytical techniques to determine their physical and chemical properties. An interesting observation in this study was that the MCS without any cross-linking agents displayed a significantly higher capacity for distilled water sorption compared to those cross-linked with glutaraldehyde or epichlorohydrin. The study revealed that non-cross-linked chitosan beads exhibited the highest sorption capacity for distilled water (35%), while cross-linked beads showed a reduced capacity of (24%). On the other hand, cross-linking benefited the sorption of organic solvents, particularly toluene. The beads cross-linked with glutaraldehyde exhibited slightly better toluene sorption capacity than those cross-linked with epichlorohydrin, which might be attributed to differences in the molecular interactions between the cross-linkers and the solvent molecules. For organic solvents, glutaraldehyde-cross-linked beads achieved the highest toluene sorption (27%), slightly outperforming epichlorohydrin-cross-linked beads (25%). Furthermore, the study found that temperature played a crucial role in influencing the sorption capacity of the MCS. The sorption capacity decreased by approximately 15% as the temperature increased from 25 °C to 45 °C, highlighting the temperature-dependent nature of the process. This inverse relationship between temperature and sorption capacity could be due to the reduced interaction between the solvent molecules and the surface of the MCS at higher temperatures, potentially caused by increased molecular motion that hinders effective adsorption. These findings provide valuable insights into the design of chitosan-based magnetic sorbents for different applications, particularly in removing organic solvents and water purification processes. Future studies could further explore the optimization of cross-linking agents and investigate these sorbents' long-term reusability and stability in various environmental conditions. Characterization (materials science) ; Chitosan ; Nanotechnology ; Field (mathematics) ; Materials science ; Engineering ; Biochemical engineering ; Chemistry ; Chemical engineering ; Mathematics Nanocomposite Films for Food Packaging ; Advanced Sensor and Energy Harvesting Materials ; Analytical Chemistry and Sensors
Authors: Ying‐Bing Lu | Lei Yu | Danpeng Cheng | Lu Long | Xiaoxuan He | Cai‐Ming Liu | He‐Rui Wen | Sui‐Jun Liu | Shui‐Dong Zhu
Source: Molecules (article, 2025-02-27)
Field: Materials Science — Electronic, Optical and Magnetic Materials

A Luminescent Proton Conductor Based on Dy2 SMM Multifunctional materials bearing photoluminescence, single-molecule magnet (SMM) behavior, and proton conduction have been particularly attractive for various promising applications in optics, molecular spintronics, high-density data storage, and fuel cells. However, these kinds of multifunctional systems have rarely been reported. Herein, a Dy<sup>III</sup>-SMM together with luminescent and proton-conducting properties, [Dy<sub>2</sub>(1-tza)<sub>4</sub>(phen)<sub>4</sub>]∙(ClO<sub>4</sub>)<sub>2</sub>∙(H<sub>2</sub>O)<sub>2</sub> (<b>1</b>, 1-tza = 2-(1H-tetrazol-1-yl)acetic, phen = 1,10-phenanthroline), was prepared and structurally characterized. Complex <b>1</b> features a dinuclear structure bridged by carboxylate oxygen atoms of the 1-tza<sup>-</sup> ligands, and its supramolecular network contains a 1D stacking channel. Complex <b>1</b> exhibits strong room-temperature Dy<sup>III</sup> characteristic emissions and SMM behaviors. In addition, complex <b>1</b> shows a moderate proton conductivity with 4.00 × 10<sup>-6</sup> S cm<sup>-1</sup> at 37 °C and 100% R.H. (R.H. = Relative Humidity), which may be ascribed to the 1D-extended H-bonds in the 1D stacking channel of <b>1</b>. Luminescence ; Conductor ; Proton ; Materials science ; Chemistry ; Physics ; Optoelectronics ; Nuclear physics ; Composite material Magnetism in coordination complexes ; Lanthanide and Transition Metal Complexes ; Inorganic Chemistry and Materials
Authors: Eliane Bsaibess | Joumana El-Rifai | Meriem Chettab | Mustapha Zaghrioui | Stavros Christopoulos | Abubakar Sadiq Yusuf | Hamed Alawa | Ahmed Slimani | Valerie Laux-Le Guyon
Source: MRS Communications (article, 2025-05-28)
Field: Materials Science — Materials Chemistry

Optimization of bismuth telluride nanoparticles synthesized via spark ablation Abstract This study explores the synthesis of Bismuth Telluride nanoparticles on silicon wafers via spark ablation using metal targets, avoiding toxic or costly precursors. Conducted at room temperature with a direct current arc and an inert gas atmosphere, the process prevents oxidation. The influence of voltage (0.5 kV, 1.0 kV, 1.5 kV), current (3 mA, 6 mA, 10 mA), and gas flow on particle size and distribution was investigated. Optimal conditions were achieved at a gas flow rate of $$2.5\,\hbox {L min}^{-1}$$ <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"> <mml:mrow> <mml:mn>2.5</mml:mn> <mml:mspace/> <mml:mtext>L</mml:mtext> <mml:mspace/> <mml:msup> <mml:mtext>min</mml:mtext> <mml:mrow> <mml:mo>-</mml:mo> <mml:mn>1</mml:mn> </mml:mrow> </mml:msup> </mml:mrow> </mml:math> , yielding particles sized 10 to 25 nm with a mean diameter of $$17 \pm 3$$ <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"> <mml:mrow> <mml:mn>17</mml:mn> <mml:mo>±</mml:mo> <mml:mn>3</mml:mn> </mml:mrow> </mml:math> nm, demonstrating tunable synthesis suitable for targeted applications. Graphic abstract Materials science ; Bismuth telluride ; Nanoparticle ; SPARK (programming language) ; Spark plasma sintering ; Bismuth ; Ablation ; Nanotechnology ; Telluride ; Chemical engineering ; Metallurgy ; Thermoelectric materials ; Composite material ; Ceramic ; Computer science MXene and MAX Phase Materials ; Semiconductor materials and devices ; Advanced Thermoelectric Materials and Devices
Authors: Marco Schmiedtchen | Thulaseedharan Nair Sailaja Sidharth | Rick Y. Lorberg | Christoph Wölper | Anzhela Galstyan | Jens Voskuhl
Source: Chemical Communications (article, 2025-01-01)
Field: Chemistry — Organic Chemistry

Tuneable phosphorescence and singlet oxygen production of bridged ethers <i>via</i> chalcogen variation and photocyclisation In this contribution, we merged a motif for solution and solid-state emission (SSSE) with thioethers capable of photocyclisation to combine efficient emission across several states of aggregation with tuneable phosphorescence. In addition, the bridged ethers revealed remarkable singlet oxygen quantum yields that increase with the chalcogen's atomic number. Chalcogen ; Phosphorescence ; Singlet oxygen ; Singlet state ; Oxygen ; Atomic oxygen Radical Photochemical Reactions ; Catalytic Cross-Coupling Reactions ; Sulfur-Based Synthesis Techniques
Authors: Merum Sireesha | Veluru Jagadeesh Babu | Seeram Ramakrishna
Source: Preprints.org (preprint, 2025-09-23)
Field: Materials Science — Biomaterials

Synthesis and Characterization of Electrospun Copper-Carbon Nanotube (Cu-CNT) Conductive Aerogels with Reduced Density Aerogels represent an extraordinary class of materials characterized by remarkable properties, including an exceptionally high porosity (approximately 99.8%), minimal weight, extraordinarily low density, low thermal conductivity, a diminished dielectric constant, and a reduced refractive index. These attributes arise from their extensive micro-meter-sized pores. In recent years, there has been a notable surge of interest in carbon or carbon nanotube (CNT) based aerogels due to their compelling potential across various applications, encompassing sensors, energy systems, and catalysis, among others. In the context of our ongoing investigation, we have successfully synthesized lightweight aerogels by incorporating copper and carbon nanotubes (Cu-CNT) through electrospinning. Intriguingly, these aerogels exhibit an electrical conductivity of approximately 0.5x103 S/cm, positioning them within the realm of semiconductors. Concurrently, their density measures approximately 1.669 g/c.c (similar to CNTs), underscoring their notably low mass. These semi-conductive aerogels, uniquely characterized by their lightweight nature and expansive surface area (approximately 442 m2/g), manifest considerable potential across a spectrum of applications. This includes catalytic processes, energy storage mechanisms, bio-sensing technologies, thermoelectric systems, and the burgeoning domains of micro and wearable electronics. The distinctive combination of properties within these aerogels augments their suitability for these diverse applications, offering the prospect of innovative and impactful advancements in various scientific and technological arenas.. Carbon nanotube ; Aerogel ; Characterization (materials science) ; Context (archaeology) ; Porosity ; Electrical conductor ; Expansive ; Thermoelectric effect ; Supercapacitor Electrospun Nanofibers in Biomedical Applications ; Supercapacitor Materials and Fabrication ; Aerogels and thermal insulation
Authors: Marta López‐Corrales | E. Izquierdo | Manel Bosch | Tapas Das | Amadeu Llebaria | Laia Josa‐Culleré | Vicente Marchán
Source: Journal of Medicinal Chemistry (article, 2025-04-28)
Field: Materials Science — Materials Chemistry

Exploring the Phototherapeutic Applications of Mitochondria-Targeted COUPY Photocages of Antitumor Drugs Photocleavable protecting groups hold great promise in photopharmacology to control the release of bioactive molecules from their caged precursors within specific subcellular compartments. Herein, we describe a series of photocages based on a COUPY scaffold, incorporating chlorambucil (CLB) and 4-phenylbutyric acid (4-PBA) as bioactive payloads that can be efficiently activated with visible light. Confocal microscopy confirmed the preferential accumulation of CLB and 4-PBA <i>N</i>-hexyl COUPY photocages in the mitochondria, which exhibited a remarkable phototoxicity against cancer cells upon green-yellow light irradiation, with IC<sub>50</sub> values in the nanomolar range. This effect was attributed to a synergistic mechanism involving the photorelease of the bioactive payloads and the intrinsic photogeneration of Type I and Type II ROS by the COUPY scaffold within mitochondria. Thus, COUPY-caged derivatives of CLB and 4-PBA underscore the potential of COUPY-caging groups as a versatile platform to develop innovative light-activated agents operating simultaneously through photodynamic therapy and photoactivated chemotherapy. Chemistry ; Phototoxicity ; Mitochondrion ; Biophysics ; In vitro ; Photodynamic therapy ; Combinatorial chemistry ; Biochemistry ; Organic chemistry Photochromic and Fluorescence Chemistry ; Nanoplatforms for cancer theranostics ; Luminescence and Fluorescent Materials
Authors: Feng Wu | Quanxin Peng | Yujie Li | Yuanjiu Xiao | Jian‐Jun Feng
Source: ChemRxiv (preprint, 2025-08-28)
Field: Chemistry — Inorganic Chemistry

Chemo-, Diastereo-, and Enantioselective (3+2) Cycloadditons of Bicyclobutanes with Enals Enabled by Synergistic Palladium and Organocatalysis Despite significant progress in catalytic asymmetric (3+X) cycloadditions of bicyclobutanes (BCBs) for constructing pharmaceutically valuable bicyclo[n.1.1]alkanes, current strategies are limited to using a single catalyst for the separate activation of BCBs or the "X" components. Herein, we report a new strategy that synergistically combines achiral Pd-catalysis for BCB activation with chiral iminium activation of α,β-unsaturated aldehydes, thereby overcoming existing limitations. These limitations include issues of chemo-, diastereo-, and enantioselectivity in the (3+2) cycloadditions of BCBs with enals for the synthesis of multisubstituted all-carbon bicyclo[2.1.1]hexanes (BCHs). Despite these challenges, up to 99% ee, >20:1 d.r., and 88% yield have been achieved. Moreover, the protocol demonstrates a wide range of substrates, high tolerance to various functional groups, scalable synthesis and versatile product functionalization, highlighting its practical value in constructing complex chiral BCH structures. Additionally, synergising transition-metal catalysis and organocatalysis activation principles broadens the mechanistic and synthetic scope of the asymmetric cycloadditions of BCBs. Organocatalysis ; Enantioselective synthesis ; Chemistry ; Catalysis ; Synergistic catalysis ; Yield (engineering) ; Iminium ; Combinatorial chemistry ; Bicyclic molecule ; Palladium ; Organic chemistry ; Stereochemistry ; Materials science Asymmetric Hydrogenation and Catalysis ; Cyclopropane Reaction Mechanisms ; Catalytic C–H Functionalization Methods
Authors: V. Velliangiri | Dhanapal Vasu | M.C. Ramkumar | Shlok Jindal | P. Gopinath | B. Babu | K. Navaneetha Pandiyaraj
Source: Surface and Interface Analysis (article, 2025-04-29)
Field: Materials Science — Surfaces, Coatings and Films

Development of PEG Like Antifouling Coating on the Surface of Polycaprolactone (PCL) 3D Scaffolds via a Nonthermal Atmospheric Pressure Plasma Jet Assisted Polymerization ABSTRACT Polycaprolactone (PCL) is commonly used in tissue engineering, but it does not interact with cells. This research explores into how we can modify the surface of PCL to enhance their antifouling properties. We applied a nonthermal atmospheric pressure plasma jet polymerization technique using ethylene glycol dimethyl ether (EGDE) on PCL scaffolds. By varying the applied voltage (12, 14 and 16 kV), we investigated how it affected the modifications. Using X‐ray photoelectron spectroscopy (XPS), we confirmed that the modified surfaces retained more characteristic functional groups on the surface at moderate potential of 14 kV. Scanning electron microscopy (SEM) and atomic force microscopy (AFM) revealed that the surface roughness increased with higher voltage. In addition, contact angle measurements and surface energy calculations showed a significant increase in the hydrophilicity meaning the modified PCL become more water‐loving. Lastly, in vitro tests for cell compatibility showed that the modified surfaces had better antifouling properties, especially the samples that retained the most functional groups. In summary, we successfully modified PCL surfaces through plasma polymerization, leading to enhanced hydrophilicity and antifouling characteristics, with improvements closely linked to the number of functional groups present on the surface. Polycaprolactone ; Atmospheric-pressure plasma ; Biofouling ; PEG ratio ; Coating ; Polymerization ; Jet (fluid) ; Chemistry ; Atmospheric pressure ; Polymer chemistry ; Chemical engineering ; Superhydrophobic coating ; Materials science ; Plasma ; Composite material ; Polymer Surface Modification and Superhydrophobicity ; Polymer Surface Interaction Studies ; Electrospun Nanofibers in Biomedical Applications
Authors: Wei Yi | Jie Xu | Jie Jiang | Toh‐Ming Lu | Zuohua Liu
Source: Materials (article, 2025-10-02)
Field: Materials Science — Ceramics and Composites

Preparation and Properties of Micron Near-Spherical Alumina Powders from Hydratable Alumina with Ammonium Fluoroborate Micron-sized near-spherical α-Al<sub>2</sub>O<sub>3</sub> powders are widely used as thermal fillers due to their high thermal conductivity, high packing density, good flowability, and low cost. During the high-temperature calcination, the resulting α-Al<sub>2</sub>O<sub>3</sub> powders often exhibit an aggregated worm-like morphology owing to limitations in solid-state mass transfer. Researchers have employed various mineralizers to regulate the morphology of α-Al<sub>2</sub>O<sub>3</sub> powders; however, the preparation of micron-sized highly spherical α-Al<sub>2</sub>O<sub>3</sub> powders via solid-state calcination is still a great challenge. In this work, micron-sized near-spherical α-Al<sub>2</sub>O<sub>3</sub> powders were synthesized through high-temperature calcination using hydratable alumina (ρ-Al<sub>2</sub>O<sub>3</sub>) as precursor with water-soluble mineralizer ammonium fluoroborate (NH<sub>4</sub>BF<sub>4</sub>). ρ-Al<sub>2</sub>O<sub>3</sub> can undergo a hydration reaction with water to form AlO(OH) and Al(OH)<sub>3</sub> intermediates, serving as an excellent precursor. With the addition of 0.1 wt% NH<sub>4</sub>BF<sub>4</sub>, the product exhibits an optimal near-spherical morphology. Excessive addition (>0.2 wt%), however, significantly promotes the transformation of α-Al<sub>2</sub>O<sub>3</sub> from a near-spherical to a plate-like structure. Further studies reveal that the introduction of NH<sub>4</sub>BF<sub>4</sub> not only modulates the crystal morphology but also effectively reduces the content of sodium impurities in the powder through a high-temperature volatilization mechanism, thereby enhancing the thermal conductivity of the powder. It is shown that the thermal conductivity of the micron-sized α-Al<sub>2</sub>O<sub>3</sub>/ epoxy resin composites reaches 1.329 ± 0.009 W/(m·K), which is 7.4 times that of pure epoxy resin. Calcination ; Thermal conductivity ; Morphology (biology) ; Impurity ; Volatilisation ; Epoxy ; Ammonium ; Conductivity Advanced ceramic materials synthesis ; Magnesium Oxide Properties and Applications ; Aluminum Alloys Composites Properties
Authors: Pritam Sadhukhan | Sk Kalimuddin | Aritri Pal | Tuhin Debnath | Swadesh Paul | Shubhankar Barman | Suhrit Ghosh | Mintu Mondal | Anuja Datta
Source: Chemical Communications (article, 2025-01-01)
Field: Materials Science — Biomaterials

Electronic pyroelectricity in a supramolecular assembly of an acceptor–donor–acceptor-type ambipolar π-system Hydrogen-bonded supramolecular assembly of an acceptor-donor-acceptor (ADA)-type ambipolar π-system containing naphthalene-diimide (π-acceptor) and thiophene (π-donor) conjugated chromophores is examined for promising pyroelectric (PY) and photo-PY properties. A maximum PY coefficient of ∼206 μC m<sup>-2</sup> K<sup>-1</sup> (at <i>T</i><sub>c</sub>) and multifold enhancement after light irradiation is reported. High energy density, power density and scaled efficiency indicate the efficacy of such a nontrivial system for flexible sensors. Ambipolar diffusion ; Acceptor ; Supramolecular chemistry ; Materials science ; Supramolecular assembly ; Pyroelectricity ; Nanotechnology ; Crystallography ; Chemistry ; Optoelectronics ; Crystal structure ; Physics ; Condensed matter physics Supramolecular Self-Assembly in Materials ; Polydiacetylene-based materials and applications ; Luminescence and Fluorescent Materials
Authors: Bruno Garita-Salazar | Jürgen H. Antony | Amanda Corrales | Cristopher Camacho | Leslie W. Pineda
Source: SSRN Electronic Journal (preprint, 2025-01-01)
Field: Chemistry — Organic Chemistry

Synthesis, Crystal Structures, Reactivity, and Theoretical Evaluations of Aromatic Pincer Ligands with Oco-Chelation Motifs Pincer movement ; Chelation ; Reactivity (psychology) ; Combinatorial chemistry ; Chemistry ; Aromaticity ; Stereochemistry ; Organic chemistry ; Molecule ; Medicine ; Catalysis Organometallic Complex Synthesis and Catalysis ; Ferrocene Chemistry and Applications ; Inorganic and Organometallic Chemistry