jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Alejandro Serrano‐Maldonado | Jean‐Bernard Ledeuil | Lénaïc Madec | Romain Rodrigues | Daniel Plá | Montserrat Gómez
Source: ACS Applied Nano Materials (article, 2024-09-04)
Field: Materials Science — Biomaterials

Cobalt and Nickel Nanocatalysts Confined inside Halloysite Nanotubes for Selective Hydrogenations Innovative cobalt and nickel catalytic materials containing metal nanoparticles immobilized into the inner tubes of pristine halloysite, a naturally occurring nanoclay, and their application in hydrogenation reactions of a large variety of substrates from biomass and industrial wastes are described herein. The catalytic materials with a high metal loading (>24 wt %) were prepared by a one-pot two-step procedure in the absence of additional stabilizers, leading to metal nanoparticles essentially confined into the support lumen (constituted of aggregates of small nanoparticles) as a result of the privileged electrostatic interactions between aluminols and metal acetate salts [Ni(OAc)2 and Co(OAc)2]. Both catalytic materials, Ni/Hal and Co/Hal, gave different chemoselectivities toward the reduction of unsaturated functional groups (carbonyl, C═C, and nitrile) under solvent-free conditions, thus affording selectively value-added compounds depending on the nature of the metal. In particular, the squalene hydrogenation monitoring permitted identification of the partial hydrogenated products and estimation of the partial turnover numbers and frequencies, achieving a cumulative TON of 110 and TOF of 151 h–1 using the most active catalytic system, i.e., Ni/Hal. Halloysite ; Nanomaterial-based catalyst ; Catalysis ; Cobalt ; Nickel ; Nanoparticle ; Metal ; Nitrile ; Chemistry ; Materials science ; Chemical engineering ; Organic chemistry ; Nanotechnology ; Composite material Clay minerals and soil interactions ; Mesoporous Materials and Catalysis ; Surface Chemistry and Catalysis
Authors: Aurélie Honfroy | Jolien Bertouille | Ana-Maria Turea | Thibault Cauwenbergh | Jessica Bridoux | Nathalie Lensen | Jessica Mangialetto | Niko Van den Brande | John White | James Gardiner | Thierry Brigaud | Steven Ballet | Sophie Hernot | Grégory Chaume | Charlotte Martin
Source: Biomacromolecules (article, 2024-09-04)
Field: Materials Science — Biomaterials

Fluorinated Peptide Hydrogels Result in Longer <i>In Vivo</i> Residence Time after Subcutaneous Administration Peptide-based hydrogels are of interest to biomedical applications. Herein, we have explored the introduction of fluorinated amino acids in hydrogelator H-FQFQFK-NH<sub>2</sub> (<b>P1</b>) to design a series of fluorinated peptide hydrogels and evaluate the <i>in vitro</i> and <i>in vivo</i> properties of the most promising analogues. The impact of fluorinated groups on peptide gelation, secondary structure, and self-assembly processes was assessed. We show that fluorine can significantly improve hydrogel stiffness, compared to the nonfluorinated reference <b>P1</b>. For <b>P15</b> (H-FQFQF(<i>o</i>-CF<sub>3</sub>)K-NH<sub>2</sub>), <b>P18</b> (H-FQFQF(F<sub>5</sub>)K-NH<sub>2</sub>), and <b>P19</b> (H-FQFQM(CF<sub>3</sub>)K-NH<sub>2</sub>), microscopy studies scrutinized fiber morphologies and alignment in the network. <i>In vitro</i> release studies of hydrogels loaded with an opioid cargo suggested improved hydrogel stability for <b>P15</b> and <b>P18</b>. This improved stability was further validated <i>in vivo</i>, notably for <b>P15</b>, giving the most significant increased gel residence time, with more than 20% of hydrogel still present 9 days post-injection, as monitored by nuclear SPECT-CT imaging. Self-healing hydrogels ; Peptide ; Chemistry ; In vivo ; Amino acid ; Residence time (fluid dynamics) ; Subcutaneous injection ; Stereochemistry ; Biophysics ; Biochemistry ; Combinatorial chemistry ; Polymer chemistry ; Medicine ; Internal medicine ; Biology ; Biotechnology Supramolecular Self-Assembly in Materials ; Advanced biosensing and bioanalysis techniques ; Chemical Synthesis and Analysis
Authors: Youbing Mu | Chenxi Xiong | Minghui Cui | Miao Sun | Xinyu Chen | Biao Xiao | Hongqian Sang | Zhenxing Wang | Hangxu Liu | Zhenggang Lan | You Song | Xiaobo Wan
Source: Chemical Science (article, 2024-12-13)
Field: Chemistry — Organic Chemistry

A recyclable dynamic semiconducting polymer consisting of Pauli-paramagnetic diradicaloids promoted and stabilized by catechol–boron coordination Coordination between 5,5',6,6'-tetrahydroxyindigo (4OH-ID) and boron tribromide unexpectedly affords a novel dynamic covalent polymer, namely P(ID-O-B), consisting of alternating indigo and indigo diradicaloid units. The catechol-boron dynamic bond plays a vital role in promoting the diradicaloid formation and stabilizing the formed diradicaloid segments. The diradicaloid segment in the polymer has a triplet ground state and a thermally populated doublet state, which has been confirmed by the EPR study. Although not conjugated, the polymer still exhibits an electrical conductivity over 10<sup>-6</sup> S cm<sup>-1</sup>. The SQUID study shows that the polymer is Pauli paramagnetic, indicating that the metallic domain exists in this non-conjugated polymer. This diradicaloid-containing polymer is stable toward long-term storage (over 6 months) and thermal treatment over 200 °C, but can be easily depolymerized when treated with methanol. Catechol ; Pauli exclusion principle ; Paramagnetism ; Boron ; Polymer ; Chemistry ; Polymer chemistry ; Materials science ; Organic chemistry ; Physics ; Condensed matter physics Synthesis and Properties of Aromatic Compounds ; Advanced NMR Techniques and Applications ; Magnetism in coordination complexes
Authors: Borja Gómez‐González | Nuno Basílio | Belén Vaz | Karen V. Góñez | Moisés Pérez‐Lorenzo | Luis García‐Río
Source: Journal of Molecular Liquids (article, 2024-08-02)
Field: Chemistry — Organic Chemistry

Supramolecular engineering of micellar systems: Precision control on self-assembly, polarity, and charge for enhanced nanocarrier design In the quest for enhanced drug delivery systems, the combination of supramolecular receptors and surfactants represents a promising step toward developing innovative and highly efficient nanocarriers. This research highlights the paramount advantages of synergizing these elements, focusing on the manipulation of the self-assembly, charge, and polarity of the hybrid nanostructures resulting from merging these building blocks. In this vein, this work reveals that the integration of hexamethylated p-sulfonatocalix[6]arene (SC6A) and dodecyltrimethylammonium bromide (DTAB) offers significant advantages over those colloidal nanostructures stemming from the use of surfactant alone. These include the ability to stimulate early self-assembly, thereby facilitating the formation of stable nanocarriers, even in high-dilution scenarios. Additionally, the electrostatic balance established within the macrocycle-surfactant host–guest complexes can be harnessed to finely adjust the charge of the hydrophilic micellar corona. This holds great promise for modulating the bio-interaction capabilities of nanocarriers. Furthermore, the inclusion of the macrocycle in the colloidal structure induces significant alterations in the arrangement of low-molecular-weight surfactants. This leads to a significant transformation in the hydrophobic properties of the micellar core, which can be exploited to tailor this microenvironment to match the lipophilicity of specific drugs. In this regard, our findings reveal that while conventional DTAB micelles generally replicate the polarity of a solvent with a dielectric constant of 37.7, engineered SC6A-DTAB aggregates demonstrate a capability to reach a polarity akin to a solvent with dielectric constant of 17.5. This spectrum of hydrophobicities within the micellar core represents a significant advancement and opens up new possibilities for drug delivery applications. Nanocarriers ; Supramolecular chemistry ; Micelle ; Self-assembly ; Nanotechnology ; Rational design ; Dielectric ; Electrostatics ; Chemistry ; Nanostructure ; Materials science ; Chemical physics ; Chemical engineering ; Nanoparticle ; Organic chemistry ; Molecule ; Aqueous solution ; Physical chemistry Surfactants and Colloidal Systems ; Supramolecular Chemistry and Complexes ; Supramolecular Self-Assembly in Materials
Authors: Hannah Cornelis | Elien Derveaux | Abhishek Singh | Mario Smet | Peter Adriaensens | Guy Van den Mooter
Source: Molecular Pharmaceutics (article, 2024-10-04)
Field: Materials Science — Polymers and Plastics

A Miscibility Study of p(MMA-<i>co</i>-HEMA)-Based Polymer Blends by Thermal Analysis and Solid-State NMR Relaxometry Ternary amorphous solid dispersions (ASDs) consist of a multicomponent carrier with the aim of improving physical stability or dissolution performance. A polymer blend as a carrier that combines a water-insoluble and a water-soluble polymer may delay the drug release rate, minimizing the risk of precipitation from the supersaturated state. Different microstructures of the ternary ASD may result in different drug release performances; hence, understanding the phase morphology of the polymer blend is crucial prior to drug incorporation. The objective of this study is to investigate the miscibility of the water-insoluble p(MMA-<i>co</i>-HEMA) and water-soluble polymers such as HPC, HPMC, HPMC-AS, and Soluplus. To prepare the polymer blends, p(MMA-<i>co</i>-HEMA) was spray dried in 80/20 and 90/10 (w/w) ratios with one of the water-soluble polymers. Thermal analysis (mDSC and DMA) and solid-state (ss)NMR relaxometry were applied to study the miscibility of these blends. No conclusions regarding miscibility could be drawn from the <i>T</i><sub>g</sub> measurements by thermal analysis. However, phase-separation could be demonstrated in all blends by ssNMR relaxometry. Moreover, by measuring both the T<sub>1ρH</sub> and T<sub>1H</sub> relaxation times, domain sizes between 5 and 50 nm could be estimated. This work shows the importance of using complementary analytical techniques to investigate polymer miscibility. Miscibility ; Relaxometry ; Polymer ; Solid-state ; Materials science ; Chemical engineering ; Physical chemistry ; Solid-state nuclear magnetic resonance ; Polymer chemistry ; Analytical Chemistry (journal) ; Chemistry ; Thermodynamics ; Organic chemistry ; Nuclear magnetic resonance ; Physics ; Magnetic resonance imaging Polymer Nanocomposites and Properties ; Polymer crystallization and properties ; NMR spectroscopy and applications
Authors: György Nimród Stoffán | Zsolt Lőrincz | Éva Pusztai | Lajos Madarász | Kornélia Tacsi | György Marosi | Hajnalka Pataki
Source: Industrial & Engineering Chemistry Research (article, 2024-07-23)
Field: Materials Science — Materials Chemistry

Development of Continuous Additive-Controlled MSMPR Crystallization by DoE-Based Batch Experiments Additive-controlled crystallization is a promising method to improve crystal morphology and produce solid drug particles with the desired technological and pharmacological properties. However, its adaptation to continuous operation is a hardly researched area. Accordingly, in this work, we aimed to come up with a methodology that provides the systematic and fast development of a continuous three-stage MSMPR cascade crystallizer. For that, a cooling crystallization of famotidine (FMT) from water, in the presence of a formulation additive, poly(vinylpyrrolidone) (PVP-K12), was developed. Process parameters with a significant impact on product quality and quantity were examined in batch mode through a 2<sup>4-1</sup> fractional factorial design for the implementation of additive-controlled continuous crystallization. These batch experiments represented one residence time of the continuous system. Based on the statistical analysis, the residence time (RT) had the highest effect on yield, while the polymer amount was critical from the product polymorphism, crystal size, and flowability points of view. The values of critical process parameters in continuous operation were fixed according to the batch results. Two continuous cooling crystallization experiments were carried out, one with 1.25 w/w<sub>FMT</sub>% PVP-K12 and one with no additive. A mixture of FMT polymorphs (Form A and Form B) crystallized without the additive through five residence times (>6.5 h) with 70.8% overall yield. On the other hand, the additive-controlled continuous experiment resulted pure and homogeneous Form A product with excellent flowability. The system could be operated for >6.5 h without clogging with a 71.1% overall yield and a 4-fold improvement in productivity compared to its batch equivalent. Crystallization ; Critical quality attributes ; Materials science ; Process engineering ; Cascade ; Process (computing) ; Chemical engineering ; Computer science ; Particle size ; Engineering Crystallization and Solubility Studies ; Analytical Chemistry and Chromatography ; Innovative Microfluidic and Catalytic Techniques Innovation
Authors: Leszek Kadziński | Bogdan Banecki
Source: Materials (article, 2024-02-24)
Field: Materials Science — Biomaterials

Optimization of Polydimethylsiloxane-Modified Composite Synthesis and Its Impact on Collagen Interactions: Perspectives for Biomedical Applications This research explores how silica composites modified with polydimethylsiloxane interact with collagen, aiming to enhance their application in the biomedical field. By adjusting the amount of polydimethylsiloxane in these composites, we evaluated their capacity to bind with collagen, an essential feature for biomaterials used in tissue engineering and drug delivery. Our findings reveal that incorporating polydimethylsiloxane into silica composites significantly boosts collagen attachment, indicating strong binding interactions. Notably, the collagen adhered to the composites maintains its natural structure, ensuring its functionality and compatibility with living tissues. This aspect is critical for biomaterials that support cell growth and regeneration in tissue scaffolds. Additionally, this study investigates how the viscosity of polydimethylsiloxane influences collagen binding, offering insights into the tailoring of composite properties for better biological performance. This work highlights the potential of polydimethylsiloxane-modified silica composites in creating innovative biomaterials for regenerative medicine and targeted therapeutic delivery. Polydimethylsiloxane ; Materials science ; Composite number ; Tissue engineering ; Drug delivery ; Biomedical engineering ; Regenerative medicine ; Nanotechnology ; Composite material ; Chemistry ; Cell ; Engineering Collagen: Extraction and Characterization ; Bone Tissue Engineering Materials ; biodegradable polymer synthesis and properties
Authors: Cláudia Merlini | Virginie Lacotte | Vanessa Oliveira Castro | Gabriel Perli | Pedro da Silva | Sébastien Livi
Source: ACS Omega (article, 2024-01-22)
Field: Materials Science — Biomaterials

Novel Aphid-Repellent Fiber Mats Based on Poly(lactic acid)-Containing Ionic Liquids To protect crops as well as human and animal health, the development of novel repellents based on biopolymers is critical for a growing world population. Here, novel aphid-repellent electrospun mats containing epoxidized ionic liquids (ILs) covalently bonded to the carboxyl or hydroxyl groups of poly(lactic acid) (PLA) were designed to produce nonwoven mats. First, di-, tri-, and tetra-epoxidized imidazolium ILs were synthesized and incorporated in different weight fractions (3, 5, and 10 wt %) into the PLA solution. Then, the effect of ILs' microstructure, thermal properties, mechanical performance, and hydrophobic behavior were investigated. It was found that the incorporation of ILs resulted in a reduction of the fiber diameters while the mechanical properties of the mats, i.e., the three-dimensional fibrous porous structure, were maintained. Finally, the effect of these three ILs against the pea aphid <i>Acyrthosiphon pisum</i> (Harris) was evaluated for the first time, showing an attractive effect for the diepoxidized IL and a repellent effect for the tri- and tetra-epoxidized ILs. By exploiting the chemical nature of ILs, an environmentally friendly strategy can be developed to limit the need for chemical pesticides and petroleum-based polymers. Acyrthosiphon pisum ; Ionic liquid ; Materials science ; Fiber ; Lactic acid ; Polymer ; Chemical engineering ; Environmentally friendly ; Organic chemistry ; Chemistry ; Botany biodegradable polymer synthesis and properties ; Natural Fiber Reinforced Composites ; Flame retardant materials and properties
Authors: Magali Teresinha Ritter | Isabel Padilla | María Ángeles Lobo-Recio | M. Romero | Aurora López‐Delgado
Source: Materials (article, 2024-08-30)
Field: Chemistry — Inorganic Chemistry

Waste Symbiosis through the Synthesis of Highly Crystalline LTA and SOD Zeolites In recent years, the demand for natural and synthetic zeolites has surged due to their distinctive properties and myriad industrial applications. This research aims to synthesise crystalline zeolites by co-recycling two industrial wastes: salt slag (SS) and rice husk ash (RHA). Salt slag, a problematic by-product of secondary aluminium smelting, is classified as hazardous waste due to its reactive and leachable nature, though it is rich in aluminium. Conversely, RHA, an abundant and cost-effective by-product of the agro-food sector, boasts a high silicon content. These wastes were utilised as aluminium and silicon sources for synthesising various zeolites. This study examined the effects of temperature, ageing time, and sodium concentration on the formation of different zeolite phases and their crystallinity. Results indicated that increased Na<sup>+</sup> concentration favoured sodalite (SOD) zeolite formation, whereas Linde type-A (LTA) zeolite formation was promoted at higher temperatures and extended ageing times. The formation range of the different zeolites was defined and supported by crystallographic, microstructural, and morphological analyses. Additionally, the thermal behaviour of the zeolites was investigated. This work underscores the potential to transform industrial waste, including hazardous materials like salt slag, into sustainable, high-value materials, fostering efficient waste co-recycling and promoting clean, sustainable industrial production through cross-sectoral industrial symbiosis. Sodalite ; Zeolite ; Materials science ; Husk ; Industrial waste ; Slag (welding) ; Aluminium ; Chemical engineering ; Smelting ; Metallurgy ; Waste management ; Aluminosilicate ; Municipal solid waste ; Chemistry ; Catalysis ; Organic chemistry Zeolite Catalysis and Synthesis ; Recycling and utilization of industrial and municipal waste in materials production ; Bauxite Residue and Utilization
Authors: Yawen Fan | Meng-Xue Shi | Zhenqiang Wang | Feng‐Rong Dai | Zhong‐Ning Chen
Source: Molecules (article, 2024-03-08)
Field: Chemistry — Inorganic Chemistry

Biomedical Applications of Sulfonylcalix[4]arene-Based Metal–Organic Supercontainers Coordination cages sustained by metal-ligand interactions feature polyhedral architectures and well-defined hollow structures, which have attracted significant attention in recent years due to a variety of structure-guided promising applications. Sulfonylcalix[4]arenes-based coordination cages, termed metal-organic supercontainers (MOSCs), that possess unique multi-pore architectures containing an <i>endo</i> cavity and multiple <i>exo</i> cavities, are emerging as a new family of coordination cages. The well-defined built-in multiple binding domains of MOSCs allow the efficient encapsulation of guest molecules, especially for drug delivery. Here, we critically discuss the design strategy, and, most importantly, the recent advances in research surrounding cavity-specified host-guest chemistry and biomedical applications of MOSCs. Nanotechnology ; Metal-organic framework ; Drug delivery ; Materials science ; Chemistry ; Organic chemistry Metal-Organic Frameworks: Synthesis and Applications ; Supramolecular Chemistry and Complexes ; Crystallography and molecular interactions
Authors: Cristina Negro | Walter D. Guerra | Donatella Armentano | Jesús Ferrando‐Soria | Thais Grancha | Emilio Pardo
Source: Chemical Communications (review, 2024-01-01)
Field: Chemistry — Inorganic Chemistry

Bioinspired metal–organic frameworks for aqueous environment decontamination: from laboratory scale to real-world technologies Concerns regarding water contamination are escalating due to the increasing presence of all types of pollutants in water sources, which pose serious health risks to humans and wildlife, disrupt ecosystems, and compromise the safety of drinking water. Addressing water contamination requires stringent regulations and increased public awareness, but especially, it requires the development of highly effective new technologies to decontaminate those aquatic environments that have been already polluted over the past few decades. Since the emergence of metal-organic frameworks (MOFs), their use has been proposed in a multitude of fields, given their unique physicochemical properties, and one of the fields where a realistic application can be expected in the near future is water remediation. In particular, oxamidato-based biological MOFs (bioMOFs) have demonstrated, in recent years, unique properties such as extraordinary robustness, crystallinity and water- and pH-stability as well as very easy functionalisation, which situates them among the best adsorbents for this environmental purpose. In this review, we have summarised the most remarkable results of oxamidato-based bioMOFs in the field of water remediation. Moreover, on the basis of the reported results, we dare to suggest the real possibilities of application, in relevant real-world environments, for these and other MOFs, as well as the main obstacles that will need to be overcome, aiming to widening the range of applicability of MOFs and making solid headway towards sustainable development. Human decontamination ; Metal-organic framework ; Scale (ratio) ; Aqueous solution ; Nanotechnology ; Environmental science ; Materials science ; Chemistry ; Waste management ; Engineering ; Organic chemistry ; Adsorption ; Physics Metal-Organic Frameworks: Synthesis and Applications ; Enhanced Oil Recovery Techniques