jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Evgeny Apartsin | Nadezhda Knauer | Ulf D. Kahlert | Anne‐Marie Caminade
Source: Pharmaceutics (article, 2022-02-10)
Field: Materials Science — Polymers and Plastics

Amphiphilic Triazine-Phosphorus Metallodendrons Possessing Anti-Cancer Stem Cell Activity Dendritic molecules bearing metal complexes in their structure (metallodendrimers and metallodendrons) are considered prospective therapeutic entities. In particular, metallodendrons raise interest as antitumor agents for the treatment of poorly curable or drug-resistant tumors. Herein, we have synthesized amphiphilic triazine-phosphorus dendrons bearing multiple copper (II) or gold (III) complexes on the periphery and a branched hydrophobic fragment at the focal point. Due to their amphiphilic nature, metallodendrons formed single micelles (mean diameter ~9 nm) or multi-micellar aggregates (mean diameter ~60 nm) in a water solution. We have tested the antitumor activity of amphiphilic metallodendrons towards glioblastoma, a malignant brain tumor with a notoriously high level of therapy resistance, as a model disease. The metallodendrons exhibit higher cytotoxic activity towards glioblastoma stem cells (BTSC233, JHH520, NCH644, and SF188 cell lines) and U87 glioblastoma cells (IC50 was 3-6 µM for copper-containing dendron and 11-15 µM for gold-containing dendron) in comparison with temozolomide (IC50 >100 µM)-the clinical standard of care for glioblastoma. Our findings show the potential of metallodendron-based nanoformulations as antitumor entities. Dendrimer ; Amphiphile ; Chemistry ; Temozolomide ; IC50 ; Triazine ; Glioblastoma ; Micelle ; Cytotoxicity ; In vitro ; Biophysics ; Cancer research ; Combinatorial chemistry ; Biochemistry ; Polymer chemistry ; Organic chemistry ; Biology ; Polymer Dendrimers and Hyperbranched Polymers ; RNA Interference and Gene Delivery ; Synthesis and Characterization of Heterocyclic Compounds
Authors: Yongjian Guo | Rouba Ghobeira | Sheida Aliakbarshirazi | Rino Morent | Nathalie De Geyter
Source: Polymers (article, 2022-12-24)
Field: Materials Science — Biomaterials

Polylactic Acid/Polyaniline Nanofibers Subjected to Pre- and Post-Electrospinning Plasma Treatments for Refined Scaffold-Based Nerve Tissue Engineering Applications Composite biopolymer/conducting polymer scaffolds, such as polylactic acid (PLA)/ polyaniline (PAni) nanofibers, have emerged as popular alternative scaffolds in the electrical-sensitive nerve tissue engineering (TE). Although mimicking the extracellular matrix geometry, such scaffolds are highly hydrophobic and usually present an inhomogeneous morphology with massive beads that impede nerve cell-material interactions. Therefore, the present study launches an exclusive combinatorial strategy merging successive pre- and post-electrospinning plasma treatments to cope with these issues. Firstly, an atmospheric pressure plasma jet (APPJ) treatment was applied on PLA and PLA/PAni solutions prior to electrospinning, enhancing their viscosity and conductivity. These liquid property changes largely eliminated the beaded structures on the nanofibers, leading to uniform and nicely elongated fibers having average diameters between 170 and 230 nm. After electrospinning, the conceived scaffolds were subjected to a N<sub>2</sub> dielectric barrier discharge (DBD) treatment, which significantly increased their surface wettability as illustrated by large decreases in water contact angles for values above 125° to values below 25°. X-ray photoelectron spectroscopy (XPS) analyses revealed that 3.3% of nitrogen was implanted on the nanofibers surface in the form of C-N and N-C=O functionalities upon DBD treatment. Finally, after seeding pheochromocytoma (PC-12) cells on the scaffolds, a greatly enhanced cell adhesion and a more dispersive cell distribution were detected on the DBD-treated samples. Interestingly, when the APPJ treatment was additionally performed, the extension of a high number of long neurites was spotted leading to the formation of a neuronal network between PC-12 cell clusters. In addition, the presence of conducting PAni in the scaffolds further promoted the behavior of PC-12 cells as illustrated by more than a 40% increase in the neurite density without any external electrical stimulation. As such, this work presents a new strategy combining different plasma-assisted biofabrication techniques of conducting nanofibers to create promising scaffolds for electrical-sensitive TE applications. Polylactic acid ; Scaffold ; Electrospinning ; Nanofiber ; Tissue engineering ; Materials science ; Polyaniline ; Biomedical engineering ; Composite material ; Polymer ; Medicine ; Polymerization Electrospun Nanofibers in Biomedical Applications ; Advanced Sensor and Energy Harvesting Materials ; Tissue Engineering and Regenerative Medicine
Authors: Vlasta Bonačić‐Koutecký | Xavier Le Guével | Rodolphe Antoine
Source: ChemBioChem (article, 2022-10-26)
Field: Materials Science — Materials Chemistry

Engineering Liganded Gold Nanoclusters as Efficient Theranostic Agents for Cancer Applications Luminescent gold nanoclusters are rapidly gaining attention as efficient theranostic targets for imaging and therapeutics. Indeed, their ease of synthesis, their tunable optical properties and tumor targeting make them potential candidates for sensitive diagnosis and efficacious therapeutic applications. This concept highlights the key components for designing gold nanoclusters as efficient theranostics focusing on application in the field of oncology. Nanoclusters ; Nanotechnology ; Materials science ; Photothermal therapy ; Colloidal gold ; Cancer therapy ; Computer science ; Cancer ; Nanoparticle ; Medicine Nanocluster Synthesis and Applications ; Advanced Nanomaterials in Catalysis ; Gold and Silver Nanoparticles Synthesis and Applications
Authors: Adriana Sacristán‐Martín | Daniel Miguel | Alberto Diez‐Varga | Héctor Barbero | Celedonio M. Álvarez
Source: The Journal of Organic Chemistry (article, 2022-12-01)
Field: Chemistry — Organic Chemistry

From Induced-Fit Assemblies to Ternary Inclusion Complexes with Fullerenes in Corannulene-Based Molecular Tweezers The participation of the tether moiety in fullerene recognition of corannulene-based molecular tweezers is known to be an important factor. In the present work, we describe the synthesis of a set of fullerene receptors bearing two corannulene units located at a suitable distance to effectively interact with C<sub>60</sub> and C<sub>70</sub>. The tether comprises a fluorene-like scaffold where an assortment of different groups with variable electronic properties has been grafted. The photophysical and electrochemical properties of all final compounds have been unveiled and correlated to the donor/acceptor (DA) nature of the tether. Despite these strong variations, their affinity toward fullerenes cannot be correlated in any way to simple DA behavior as the main contribution to the interaction correspond to London dispersion forces. We found, however, that the sulfur-derived subfamily is able to adapt better to the fullerene outer surface slightly increasing the charge transfer and electrostatic attractive interactions being the most outstanding example the case of thiophene <b>4-S</b> with C<sub>70</sub> as it is capable of forming a ternary 2:1 inclusion complex in solution with an electronic binding energy that offsets entropy and desolvation penalties typically associated with higher-order inclusion complexes. Fullerene ; Chemistry ; Corannulene ; Molecular tweezers ; Ternary operation ; Chemical physics ; Acceptor ; Moiety ; Molecule ; Computational chemistry ; Stereochemistry ; Organic chemistry ; Supramolecular chemistry Fullerene Chemistry and Applications ; Advanced Chemical Physics Studies ; Synthesis and Properties of Aromatic Compounds
Authors: Martin A. Hubbe | Dorota B. Szlek | Ramón E. Vera
Source: BioResources (review, 2022-01-01)
Field: Materials Science — Biomaterials

Detergency mechanisms and cellulosic surfaces: A review The release of soils and impurities from cellulosic surfaces plays a critical role in such processes as the laundering of clothes and the deinking of wastepaper pulps. This article reviews publications that provide evidence about factors that affect such release and the mechanisms by which such factors operate. In general, cellulosic substrates provide advantages for the release of contaminants due to their hydrophilic nature and due to their permeability, allowing the transport of surfactants to contact interfaces with dirt. However, the same permeability of cellulosic material also provides opportunities for contaminants to work themselves into internal crevices and pores, from which they are difficult to remove. The article also reviews aspects of theory related to detergency and how those theories relate to the laundering, deinking, and purifying of substrates based on cellulose and related plant materials. Cellulose and some of its derivatives also can play a role in detergent formulation, especially as builders or as finishes placed on textile surfaces, which sometimes aid in the release of dirt. Cellulosic ethanol ; Deinking ; Cellulose ; Dirt ; Textile ; Cellulose fiber ; Materials science ; Pulp and paper industry ; Waste management ; Polymer science ; Forensic engineering ; Waste paper ; Composite material ; Engineering ; Chemical engineering Advanced Cellulose Research Studies
Authors: José Elìas Angulo‐Cervera | Mario Piedrahita‐Bello | Baptiste Martin | Seyed Ehsan Alavi | William Nicolazzi | Lionel Salmon | Gábor Molnár | Azzedine Bousseksou
Source: Materials Advances (article, 2022-01-01)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Thermal hysteresis of stress and strain in spin-crossover@polymer composites: towards a rational design of actuator devices Polymer composites of molecular spin crossover complexes have emerged as promising mechanical actuator materials, but their effective thermomechanical properties remain elusive. In this work, we investigated a series of iron(ii)-triazole@P(VDF-TrFE) particulate composites using a tensile testing stage with temperature control. From these measurements, we assessed the temperature dependence of the Young's modulus as well as the free deformation and blocking stress, associated with the thermally-induced spin transition. The results denote that the expansion of the particles at the spin transition is effectively transferred to the macroscopic composite material, providing <i>ca.</i> 1-3% axial strain for 25% particle load. This strain is in excess of the 'neat' particle strain, which we attribute to particle-matrix mechanical coupling. On the other hand, the blocking stress (∼1 MPa) appears reduced by the softening of the composite around the spin transition temperature. Materials science ; Composite material ; Spin crossover ; Composite number ; Particle (ecology) ; Thermal expansion ; Stress (linguistics) ; Hysteresis ; Ultimate tensile strength ; Polymer ; Modulus ; Condensed matter physics Magnetism in coordination complexes ; Organic and Molecular Conductors Research ; Conducting polymers and applications
Authors: René Campos‐González | Pablo Vázquez-Domínguez | Patricia Remón | Francisco Nájera | Daniel Collado | Ezequiel Pérez‐Inestrosa | Francisco Boscá | Abel Ros | Uwe Pischel
Source: Organic Chemistry Frontiers (article, 2022-01-01)
Field: Materials Science — Materials Chemistry

Bis-borylated arylisoquinoline-derived dyes with a central aromatic core: towards efficient fluorescent singlet-oxygen photosensitizers Polycyclic aromatic hydrocarbon chromophores that show an ideal bipartition between fluorescence and singlet oxygen production have been developed. Chemistry ; Photochemistry ; Singlet oxygen ; Fluorescence ; Core (optical fiber) ; Singlet state ; Oxygen ; Excited state ; Organic chemistry ; Optics ; Atomic physics Luminescence and Fluorescent Materials ; Porphyrin and Phthalocyanine Chemistry ; Photodynamic Therapy Research Studies
Authors: Jean‐Baptiste Vaney | Baptiste Vignolle | Alain Demourgues | Etienne Gaudin | Étienne Durand | Christine Labrugère | Fabio Bernardini | A. Cano | Sophie Tencé
Source: Nature Communications (article, 2022-03-18)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Topotactic fluorination of intermetallics as an efficient route towards quantum materials Intermetallics represent an important family of compounds, in which insertion of light elements (H, B, C, N) has been widely explored for decades to synthesize novel phases and promote functional materials such as permanent magnets or magnetocalorics. Fluorine insertion, however, has remained elusive so far since the strong reactivity of this atypical element, the most electronegative one, tends to produce the chemical decomposition of these systems. Here, we introduce a topochemical method to intercalate fluorine atoms into intermetallics, using perfluorocarbon reactant with covalent C-F bonds. We demonstrate the potential of this approach with the synthesis of non-stoichiometric mixed anion (Si-F) LaFeSiF<sub>x</sub> single-crystals, which are further shown to host FeSi-based superconductivity. Fluorine topochemistry on intermetallics is thus proven to be an effective route to provide functional materials where the coexistence of ionic and metallo-covalent blocks, and their interactions through inductive effects, is at the root of their functional properties. Intermetallic ; Fluorine ; Covalent bond ; Stoichiometry ; Ionic bonding ; Materials science ; Reactivity (psychology) ; Intercalation (chemistry) ; Ion ; Chemical physics ; Inorganic chemistry ; Chemistry ; Physical chemistry ; Organic chemistry ; Metallurgy Iron-based superconductors research ; Inorganic Chemistry and Materials ; Inorganic Fluorides and Related Compounds
Authors: Srikanth Nayak | Raju R. Kumal | Ahmet Uysal
Source: Langmuir (article, 2022-04-28)
Field: Chemistry — Physical and Theoretical Chemistry

Spontaneous and Ion-Specific Formation of Inverted Bilayers at Air/Aqueous Interface Developing better separation technologies for rare earth metals, an important aspect of a sustainable materials economy, is challenging due to their chemical similarities. Identifying molecular-scale interactions that amplify the subtle differences between the rare earths can be useful in developing new separation technologies. Here, we describe the ion-dependent monolayer to inverted bilayer transformation of extractant molecules at the air/aqueous interface. The inverted bilayers form with Lu<sup>3+</sup> ions but not with Nd<sup>3+</sup>. By introducing Lu<sup>3+</sup> ions to preformed monolayers, we extract kinetic parameters corresponding to the monolayer to inverted bilayer conversion. Temperature-dependent studies show Arrhenius behavior with an energy barrier of 40 kcal/mol. The kinetics of monolayer to inverted bilayer conversion is also affected by the character of the background anion, although anions are expected to be repelled from the interface. Our results show the outsized importance of ion-specific effects on interfacial structure and kinetics, pointing to their role in chemical separation methods. Monolayer ; Bilayer ; Chemistry ; Chemical physics ; Aqueous solution ; Ion ; Kinetics ; Arrhenius equation ; Molecule ; Membrane ; Physical chemistry ; Activation energy ; Organic chemistry Electrostatics and Colloid Interactions ; Nanopore and Nanochannel Transport Studies ; Micro and Nano Robotics
Authors: Maria Basso | Elena Colusso | Marco Tancon | Stefano Bortolin | Matteo Mirafiori | M. Guglielmi | Davide Del Col | Alessandro Martucci
Source: Journal of Non-Crystalline Solids X (article, 2022-12-15)
Field: Materials Science — Surfaces, Coatings and Films

Hydrophobic hybrid silica sol-gel coating on aluminium: Stability evaluation during saturated vapour condensation Hydrophobic coatings are widely employed in liquid-vapour phase change applications, offering advantageous control on condensation dynamics. However, they suffer from poor stability under harsh conditions and their durability is often neglected over thermal performance. Here, the global performance of a hybrid octyl-modified silica coating on aluminium was studied during saturated vapour condensation, in terms of thermal efficiency and durability. The coating successfully promoted dropwise condensation with heat transfer coefficients of ∼90 kW m−2 K−1, an average 9-fold increase with respect to filmwise condensation under similar heat flux conditions. Straightforward and reproducible tests were employed to separately evaluate the different factors influencing the coating's degradation, attempting to reproduce the conditions present in the apparatus used for the condensation experiments. The developed tests could successfully provide a rapid estimation of the coating's durability during a broad range of liquid-vapour phase change applications. Condensation ; Materials science ; Durability ; Coating ; Aluminium ; Thermal stability ; Phase (matter) ; Chemical engineering ; Composite material ; Superhydrophobic coating ; Thermodynamics ; Chemistry ; Organic chemistry Surface Modification and Superhydrophobicity ; Spacecraft and Cryogenic Technologies ; Aerogels and thermal insulation
Authors: Gang Wu | Iraida Sharina | Emil Martin
Source: Frontiers in Molecular Biosciences (review, 2022-10-11)
Field: Chemistry — Organic Chemistry

Soluble guanylyl cyclase: Molecular basis for ligand selectivity and action in vitro and in vivo Nitric oxide (NO), carbon monoxide (CO), oxygen (O<sub>2</sub>), hydrogen sulfide (H<sub>2</sub>S) are gaseous molecules that play important roles in the physiology and pathophysiology of eukaryotes. Tissue concentrations of these physiologically relevant gases vary remarkable from nM range for NO to high μM range of O<sub>2</sub>. Various hemoproteins play a significant role in sensing and transducing cellular signals encoded by gaseous molecules or in transporting them. Soluble guanylyl cyclase (sGC) is a hemoprotein that plays vital roles in a wide range of physiological functions and combines the functions of gaseous sensor and signal transducer. sGC uniquely evolved to sense low non-toxic levels of NO and respond to elevated NO levels by increasing its catalytic ability to generate the secondary signaling messenger cyclic guanosine monophosphate (cGMP). This review discusses sGC's gaseous ligand selectivity and the molecular basis for sGC function as high-affinity and selectivity NO receptor. The effects of other gaseous molecules and small molecules of cellular origin on sGC's function are also discussed. In vivo ; In vitro ; Soluble guanylyl cyclase ; Chemistry ; Ligand (biochemistry) ; Guanylate cyclase ; Biophysics ; Pharmacology ; Biochemistry ; Cell biology ; Receptor ; Biology ; Genetics Carbohydrate Chemistry and Synthesis ; Enzyme Catalysis and Immobilization ; Glycosylation and Glycoproteins Research
Authors: Frank Nießen | Elena V. Pereloma
Source: Advanced Engineering Materials (review, 2022-05-23)
Field: Materials Science — Materials Chemistry

A Review of In Situ Observations of Deformation‐Induced <b>β</b> ↔ α″ Martensite Transformations in Metastable β Ti Alloys This review summarizes the current knowledge on the α″ martensite transformation in metastable β Ti alloys under different stress state conditions gained using various in situ techniques that range from the meso‐ to the nanoscale. Compared to ex situ observations, in situ observation can be conducted on a single region while changing external stimuli, and are therefore capable of elucidating the interim microstructural evolution. The strengths and shortcomings of different techniques to give insight into the martensitic transformation are identified. Both the formation of α″ martensite and its reversion on load removal are addressed. The phenomena of α″ martensite formation including preferential nucleation sites, its growth, interactions, and variant selection are described. The review also discusses the details of the macro‐ and micro‐level mechanical behavior caused by the phase transformation and highlights the research questions for further investigation. Materials science ; Metastability ; In situ ; Martensite ; Deformation (meteorology) ; Metallurgy ; Crystallography ; Composite material ; Microstructure ; Physics Titanium Alloys Microstructure and Properties ; Intermetallics and Advanced Alloy Properties ; MXene and MAX Phase Materials
Authors: Jolie C. Blake | Stefano Rossi | Magnus P. Jonsson | Andreas Dahlin
Source: Advanced Optical Materials (article, 2022-04-28)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Scalable Reflective Plasmonic Structural Colors from Nanoparticles and Cavity Resonances – the Cyan‐Magenta‐Yellow Approach Abstract Plasmonic metasurfaces for color generation are emerging as important components for next generation display devices. Fabricating bright plasmonic colors economically and via easily scalable methods, however, remains difficult. Here, the authors demonstrate an efficient and scalable strategy based on colloidal lithography to fabricate silver‐based reflective metal–insulator–nanodisk plasmonic cavities that provide a cyan‐magenta‐yellow (CMY) color palette with high relative luminance. With the same basic structure, they exploit different mechanisms to efficiently produce a complete subtractive color palette. Finite‐difference time‐domain simulations reveal that these mechanisms include gap surface plasmon modes for thin insulators and hybridized modes between disk plasmons and Fabry–Pérot modes for thicker systems. To produce yellow hues, they take advantage of higher‐energy gap surface plasmon modes to allow resonance dips in the blue spectral region for comparably large nanodisks, thereby circumventing difficult fabrication of nanodisks less than 80 nm. It is anticipated that incorporation of these strategies can reduce fabrication constraints, produce bright saturated colors, and expedite large‐scale production. Plasmon ; Cyan ; Materials science ; Magenta ; Subtractive color ; Optoelectronics ; Structural coloration ; Fabrication ; Palette (painting) ; Lithography ; Nanotechnology ; Optics ; Computer science ; Photonic crystal ; Inkwell ; Physics Metamaterials and Metasurfaces Applications ; Plasmonic and Surface Plasmon Research ; Gold and Silver Nanoparticles Synthesis and Applications