jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Feng Lin | Zhaoqi Ye | Lingtao Kong | Peng Liu | Yahong Zhang | Hongbin Zhang | Yi Tang
Source: Nanomaterials (article, 2022-05-09)
Field: Chemistry — Inorganic Chemistry

Facile Morphology and Porosity Regulation of Zeolite ZSM-5 Mesocrystals with Synergistically Enhanced Catalytic Activity and Shape Selectivity The morphology and mesoporosity of zeolite are two vital properties to determine its performance in diverse applications involving adsorption and catalysis; while it remains a big challenge for the synthesis and regulation of zeolites with exceptional morphology/porosity only through inorganic-ions-based modification. Herein, by simply optimizing the alkali metal type (K<sup>+</sup> or Na<sup>+</sup>), as well as alkali/water ratio and crystallization temperature, the zeolite ZSM-5 mesocrystals with diverse mesostructures are simply and controllably prepared via fine-tuning the crystallization mechanism in an organotemplate-free, ions-mediated seed-assisted system. Moreover, the impacts of these key parameters on the evolution of seed crystals, the development and assembly behavior of aluminosilicate species and the solution-phase process during zeolite crystallization are investigated by means of directional etching in NH<sub>4</sub>F or NaOH solutions. Except for the morphology/mesoporosity modulation, their physical and chemical properties, such as particle size, microporosity, Si/Al ratio and acidity, can be well maintained at a similar level. As such, the <i>p</i>/<i>o</i>-xylene adsorption and catalytic performance of <i>o</i>-xylene isomerization are used to exhaustively evaluate the synergistically enhanced catalytic activity and shape selectivity of the obtained products. This work demonstrates the possibility of effectively constructing novel zeolite mesostructures by simply altering parameters on simple ions-controlled crystallization and provides good models to inspect the impacts of mesoporosity or morphology on their catalytic performances. Zeolite ; Crystallization ; Catalysis ; Chemical engineering ; Aluminosilicate ; Selectivity ; Materials science ; Porosity ; Alkali metal ; Morphology (biology) ; Metal ions in aqueous solution ; ZSM-5 ; Adsorption ; Metal ; Inorganic chemistry ; Chemistry ; Organic chemistry ; Composite material ; Metallurgy Zeolite Catalysis and Synthesis ; Mesoporous Materials and Catalysis ; Metal-Organic Frameworks: Synthesis and Applications
Authors: Brook Wander | Kirby Broderick | Zachary W. Ulissi
Source: Catalysis Science & Technology (article, 2022-01-01)
Field: Materials Science — Materials Chemistry

Catlas: an automated framework for catalyst discovery demonstrated for direct syngas conversion Catlas may be used with off-the-shelf pretrained models to explore large design spaces for catalyst discovery and has been used here to identify promising materials for the direct conversion of syngas to multi-carbon oxygenates. Syngas ; Oxygenate ; Catalysis ; Process engineering ; Chemistry ; Organic chemistry ; Engineering Machine Learning in Materials Science ; CO2 Reduction Techniques and Catalysts ; Catalytic Processes in Materials Science
Authors: Yanping Zhang | Alice Le Friec | Di Sun | Menglin Chen
Source: Chemical Engineering Journal (article, 2022-11-23)
Field: Materials Science — Biomaterials

Sinusoidal stretchable fibrous electrodes regulate cardiac contraction The flexible electronics allowing regulate the performance of engineered cardiac tissue represents a promising approach for the treatment of cardiac diseases. However, the conventional electronic system is usually limited by mismatched biomechanical properties. Herein, exploring the natural flow behavior of the polymer melt in Melt electrowriting (MEW) under its non-linear printing phase, a fibrous mesh electrode with a sinusoidal anisotropic structure resembling the collagen fiber architecture in the heart was straightforwardly created. The structure-defined, biomimetic anisotropic viscoelastic behavior, withstanding thousands of cyclical and constant stretching, together with the fine-tuned anisotropic electrical properties, were employed at the electrode-cell interface for synchronizing cardiomyocytes beating. The anisotropic fibrous mesh electrode, which is 100 times thinner than human hair, easily conforms to the heart’s anisotropic structure to introduce bioelectrical stimulation to the surface of the diseased tissue evenly across a wide area. Electrical stimulation through the electrodes could modulate HL-1 murine cardiomyocyte contraction frequency. Meanwhile, human iPSC derived cardiomyocytes (iPSC-CMs) with well-developed sarcomeres and cellular electrical coupling were aligned and elongated along the stretchable electrode, which accommodated their in-plane contractions along the short axis, suggesting the good mechanical conformability to the heart beating. The stretchable electrode demonstrated in vivo biocompatibility by histology analysis. Overall, our anisotropic, stretchable electrode mesh holds great potential for cardiac repair. Materials science ; Electrode ; Biomedical engineering ; Anisotropy ; Biocompatibility ; Stretchable electronics ; Nanotechnology ; Electronics ; Chemistry Electrospun Nanofibers in Biomedical Applications ; Tissue Engineering and Regenerative Medicine ; Advanced Sensor and Energy Harvesting Materials
Authors: Shao‐Min Wang | Xuan‐Tong Mu | Haoran Liu | Su‐Tao Zheng | Qing‐Yuan Yang
Source: Angewandte Chemie (article, 2022-06-08)
Field: Chemistry — Inorganic Chemistry

Pore‐Structure Control in Metal–Organic Frameworks (MOFs) for Capture of the Greenhouse Gas SF<sub>6</sub>with Record Separation Abstract In the electronics industry, the efficient recovery and capture of sulfur hexafluoride (SF 6 ) from SF 6 /N 2 mixtures is of great importance. Herein, three metal–organic frameworks with fine‐tuning pore structures, Cu(peba) 2 , Ni(pba) 2 , and Ni(ina) 2 , were designed for SF 6 capture. Among them, Ni(ina) 2 has perfect pore sizes (6 Å) that are comparable to the kinetic diameter of sulfur hexafluoride (5.2 Å), affording the benchmark binding affinity for SF 6 gas. Ni(ina) 2 exhibits the highest SF 6 /N 2 selectivity (375.1 at 298 K and 1 bar) and ultra‐high SF 6 uptake capacity (53.5 cm 3 g −1 at 298 K and 0.1 bar) at ambient conditions. The remarkable separation performance of Ni(ina) 2 was verified by dynamic breakthrough experiments. Theoretical calculations and the SF 6 ‐loaded single‐crystal structure provided critical insight into the adsorption/separation mechanism. This porous coordination network has the potential to be used in industrial applications. Metal-organic framework ; Bar (unit) ; Gas separation ; Sulfur hexafluoride ; Adsorption ; Sulfur ; Porosity ; Chemistry ; Metal ; Single crystal ; Chemical engineering ; Materials science ; Nanotechnology ; Physical chemistry ; Crystallography ; Organic chemistry Metal-Organic Frameworks: Synthesis and Applications ; Inorganic Fluorides and Related Compounds ; Industrial Gas Emission Control
Authors: Jaideep Mor | P. Utpalla | Jitendra Bahadur | Sandeep Kumar Sharma
Source: Langmuir (article, 2022-12-07)
Field: Chemistry — Inorganic Chemistry

Flexibility of Mixed Ligand Zeolitic Imidazolate Frameworks (ZIF-7–8) under CO<sub>2</sub> Pressure: An Investigation Using Positron Annihilation Lifetime Spectroscopy Fine tuning of the pore architecture and flexibility of zeolitic imidazolate frameworks (ZIFs) is highly crucial for realizing their applications in molecular gas separation. Mixed ligand frameworks (ZIF-7-8) synthesized by mixing 2-methylimidazole (2meIm) and benzimidazole (bIm) ligands show enhanced gas separation performance, attributable to pore and flexibility tuning. In the present study, positron annihilation lifetime spectroscopy (PALS) measurements under CO<sub>2</sub> pressure have been used to experimentally investigate the tuning of the pore architecture and flexibility of mixed ligand frameworks ZIF-7-8 having a ZIF-8 structure and similar morphology with varying bIm content up to 18.2%. The aperture and cavity of frameworks begin to open up with an increasing bIm ligand content followed by a decrease at a higher content. On the contrary, flexibility of the frameworks indexed from PALS measurements carried out under CO<sub>2</sub> pressure shows a decreasing trend followed by an increase. The present study shows that mixed ligand frameworks having a larger aperture size are less flexible as a result of inherent open configurations of ligands in the framework lattice. On the other hand, frameworks having a comparatively smaller aperture size show higher flexibility as a result of a possibility of twisting of the ligands under CO<sub>2</sub> pressure, resulting in aperture opening. The pore-opening phenomenon as a result of lattice flexibility under CO<sub>2</sub> pressure is observed to be fully reversible for ZIF-7-8. Zeolitic imidazolate framework ; Imidazolate ; Positron annihilation spectroscopy ; Materials science ; Flexibility (engineering) ; Lattice (music) ; Spectroscopy ; Chemical physics ; Ligand (biochemistry) ; Metal-organic framework ; Crystallography ; Chemistry ; Chemical engineering ; Nanotechnology ; Physical chemistry ; Positron annihilation ; Positron ; Inorganic chemistry ; Physics ; Adsorption ; Nuclear physics Metal-Organic Frameworks: Synthesis and Applications ; Membrane Separation and Gas Transport ; Muon and positron interactions and applications
Authors: Ahmed Ahmed | Darragh McHugh | Constantina Papatriantafyllopoulou
Source: Molecules (review, 2022-10-05)
Field: Chemistry — Inorganic Chemistry

Synthesis and Biomedical Applications of Highly Porous Metal–Organic Frameworks In this review, aspects of the synthesis, framework topologies, and biomedical applications of highly porous metal-organic frameworks are discussed. The term "highly porous metal-organic frameworks" (HPMOFs) is used to denote MOFs with a surface area larger than 4000 m<sup>2</sup> g<sup>-1</sup>. Such compounds are suitable for the encapsulation of a variety of large guest molecules, ranging from organic dyes to drugs and proteins, and hence they can address major contemporary challenges in the environmental and biomedical field. Numerous synthetic approaches towards HPMOFs have been developed and discussed herein. Attempts are made to categorise the most successful synthetic strategies; however, these are often not independent from each other, and a combination of different parameters is required to be thoroughly considered for the synthesis of stable HPMOFs. The majority of the HPMOFs in this review are of special interest not only because of their high porosity and fascinating structures, but also due to their capability to encapsulate and deliver drugs, proteins, enzymes, genes, or cells; hence, they are excellent candidates in biomedical applications that involve drug delivery, enzyme immobilisation, gene targeting, etc. The encapsulation strategies are described, and the MOFs are categorised according to the type of biomolecule they are able to encapsulate. The research field of HPMOFs has witnessed tremendous development recently. Their intriguing features and potential applications attract researchers' interest and promise an auspicious future for this class of highly porous materials. Metal-organic framework ; Porosity ; Nanotechnology ; Materials science ; Chemistry ; Chemical engineering ; Organic chemistry ; Engineering ; Adsorption Metal-Organic Frameworks: Synthesis and Applications ; Advanced Nanomaterials in Catalysis ; Machine Learning in Materials Science
Authors: Giuseppe Muscas | Francesco Congiu | G. Concas | Carla Cannas | Valentina Mameli | Nader Yaacoub | Rodaina Sayed Hassan | D. Fiorani | Sawssen Slimani | Davide Peddis
Source: Nanoscale Research Letters (article, 2022-10-11)
Field: Materials Science — Materials Chemistry

The Boundary Between Volume and Surface-Driven Magnetic Properties in Spinel Iron Oxide Nanoparticles Despite modern preparation techniques offer the opportunity to tailor the composition, size, and shape of magnetic nanoparticles, understanding and hence controlling the magnetic properties of such entities remains a challenging task, due to the complex interplay between the volume-related properties and the phenomena occurring at the particle's surface. The present work investigates spinel iron oxide nanoparticles as a model system to quantitatively analyze the crossover between the bulk and the surface-dominated magnetic regimes. The magnetic properties of ensembles of nanoparticles with an average size in the range of 5-13 nm are compared. The role of surface anisotropy and the effect of oleic acid, one of the most common and versatile organic coatings, are discussed. The structural and morphological properties are investigated by X-ray diffraction and transmission electron microscopy. The size dependence of the surface contribution to the effective particle anisotropy and the magnetic structure are analyzed by magnetization measurements and in-field Mössbauer spectrometry. The structural data combined with magnetometry and Mössbauer spectrometry analysis are used to shed light on this complex scenario revealing a crossover between volume and surface-driven properties in the range of 5-7 nm. Materials science ; Spinel ; Nanoparticle ; Magnetic nanoparticles ; Magnetic anisotropy ; Magnetization ; Chemical physics ; Iron oxide nanoparticles ; Particle size ; Transmission electron microscopy ; Particle (ecology) ; Anisotropy ; Nanotechnology ; Iron oxide ; Chemical engineering ; Magnetic field ; Chemistry ; Optics ; Metallurgy ; Physics Magnetic Properties and Synthesis of Ferrites ; Characterization and Applications of Magnetic Nanoparticles ; Iron oxide chemistry and applications
Authors: Zackarias Söderlund | Arturo Ibáñez‐Fonseca | S. Hajizadeh | José Carlos Rodríguez‐Cabello | J. Liu | Lei Ye | Emil Tykesson | Linda Elowsson | Gunilla Westergren‐Thorsson
Source: Communications Biology (article, 2022-12-08)
Field: Materials Science — Biomaterials

Controlled release of growth factors using synthetic glycosaminoglycans in a modular macroporous scaffold for tissue regeneration Healthy regeneration of tissue relies on a well-orchestrated release of growth factors. Herein, we show the use of synthetic glycosaminoglycans for controlled binding and release of growth factors to induce a desired cellular response. First, we screened glycosaminoglycans with growth factors of interest to determine k<sub>on</sub> (association rate constant), k<sub>off</sub> (dissociation rate constant), and K<sub>d</sub> (equilibrium rate constant). As proof-of-concept, we functionalized an elastin-like recombinamer (ELR) hydrogel with a synthetic glycosaminoglycan and immobilized fibroblast growth factor 2 (FGF2), demonstrating that human umbilical vein endothelial cells cultured on top of ELR hydrogel differentiated into tube-like structures. Taking this concept further, we developed a tunable macroporous ELR cryogel material, containing a synthetic glycosaminoglycan and FGF2 that showed increased blood vessel formation and reduced immune response compared to control when implanted in a subcutaneous mouse model. These results demonstrated the possibility for specific release of desired growth factors in/from a modular 3D scaffold in vitro and in vivo. Glycosaminoglycan ; Scaffold ; Umbilical vein ; Chemistry ; Fibroblast ; Regeneration (biology) ; In vivo ; In vitro ; Biophysics ; Fibroblast growth factor ; Tissue engineering ; Biomedical engineering ; Cell biology ; Biochemistry ; Biology ; Receptor Electrospun Nanofibers in Biomedical Applications ; Connective tissue disorders research ; Tissue Engineering and Regenerative Medicine
Authors: Wenkang Tu | Paulina Maksym | Kamil Kamiński | Katarzyna Chat | Karolina Adrjanowicz
Source: Polymer Chemistry (article, 2022-01-01)
Field: Chemistry — Organic Chemistry

Free-radical polymerization of 2-hydroxyethyl methacrylate (HEMA) supported by a high electric field Polymerization supported by a high dc voltage results in charged macromolecules with high conductivity, reduced molecular weight, and moderate dispersity. Dispersity ; Polymerization ; Methacrylate ; Polymer chemistry ; Macromolecule ; Radical polymerization ; Materials science ; Chemistry ; Chemical engineering ; Polymer ; Organic chemistry ; Engineering Advanced Polymer Synthesis and Characterization ; Fuel Cells and Related Materials ; Polymer composites and self-healing
Authors: Kristoffer W. Bø Hunvik | R. J. S. Lima | Alexsandro Kirch | Patrick Loch | Paul Monceyron Røren | Martin Hoffmann Petersen | Svemir Rudić | Victoria García Sakai | Kenneth D. Knudsen | Caetano R. Miranda | Josef Breu | Jon Otto Fossum | Heloisa N. Bordallo
Source: The Journal of Physical Chemistry C (article, 2022-10-03)
Field: Materials Science — Biomaterials

Influence of CO<sub>2</sub> on Nanoconfined Water in a Clay Mineral Developing new technologies for carbon sequestra-tion and long-term carbon storage is important. Clay minerals are interesting in this context as they are low-cost, naturally abundant, can adsorb considerable amounts of CO2, and are present in storage sites for anthropogenic carbon. Here, to better understand the intercalation mechanisms of CO2 in dehydrated and hydrated synthetic Na-fluorohectorite clay, we have combined powder X-ray diffraction, inelastic and quasi-elastic neutron scattering, and density functional theory calculations. For dehydrated Na-fluorohectorite, we observe no crystalline swelling or spectroscopic changes in response to CO2, whereas for the hydrated case, damping of the librational modes related to the intercalated water was clearly observed. These findings suggest the formation of a more disordered water coordination in the interlayer associated with highly confined water molecules. From the simulations, we conclude that intercalated water molecules decrease the layer-layer cohesion energy and create physical space for CO2 intercalation. Furthermore, we confirm that interlayer confinement reduces the Na+ hydration number when compared to that in bulk aqueous water, which may allow for proton transfer and hydroxide formation followed by CO2 adsorption in the form of carbonates. The experimental results are discussed in the context of previous and present observations on, a similar smectite, Ni-fluorohectorite, for which it is established that CO2 attaches to the edge of nickel hydroxide islands present in the interlayer. Clay minerals ; Mineral ; Geochemistry ; Geology ; Mineralogy ; Chemistry ; Organic chemistry Clay minerals and soil interactions ; CO2 Sequestration and Geologic Interactions ; NMR spectroscopy and applications
Authors: Runhui Liang | Yuanchun Li | Zhiping Yan | Xueqin Bai | Wenquan Lai | Lili Du | David Lee Phillips
Source: ACS Physical Chemistry Au (article, 2022-12-23)
Field: Chemistry — Physical and Theoretical Chemistry

Exploring Solvent Effects on the Proton Transfer Processes of Selected Benzoxazole Derivatives by Femtosecond Time-Resolved Fluorescence and Transient Absorption Spectroscopies Excited-state intramolecular proton transfer (ESIPT) is of great importance due to the large Stokes shift emission that can be observed in some ESIPT molecules. Although steady-state spectroscopies have been employed to study the properties of some ESIPT molecules, their excited-state dynamics have not been examined directly with time-resolved spectroscopy methods yet for a number of systems. Here, an in-depth investigation of the solvent effects on the excited-state dynamics of two prototypical ESIPT molecules, 2-(2'-hydroxyphenyl)-benzoxazole (<b>HBO</b>) and 2-(2'-hydroxynaphthalenyl)-benzoxazole (<b>NAP</b>), have been accomplished by using femtosecond time-resolved fluorescence and transient absorption spectroscopies. Solvent effects affect the excited-state dynamics of <b>HBO</b> more significantly than that of <b>NAP</b>. Particularly in the presence of water, the photodynamics pathways of <b>HBO</b> are changed, while only small changes can be found in <b>NAP</b>. An ultrafast ESIPT process that occurs within our instrumental response is observed for <b>HBO</b>, and this is followed by an isomerization process in ACN solution. However, in aqueous solution, the obtained <i>syn</i>-keto* after ESIPT can be solvated by water in about 3.0 ps, and the isomerization process is totally inhibited for <b>HBO</b>. The mechanism of <b>NAP</b> is different from <b>HBO</b> and is determined to be a two-step excited-state proton transfer process. Upon photoexcitation, <b>NAP</b> is deprotonated first in the excited state to generate the anion*, which can transfer to the <i>syn</i>-keto* form followed by an isomerization process. Benzoxazole ; Ultrafast laser spectroscopy ; Photochemistry ; Chemistry ; Excited state ; Isomerization ; Photoexcitation ; Absorption (acoustics) ; Stokes shift ; Intramolecular force ; Deprotonation ; Fluorescence ; Spectroscopy ; Materials science ; Organic chemistry ; Ion Photochemistry and Electron Transfer Studies ; Radical Photochemical Reactions ; Free Radicals and Antioxidants
Authors: Concetta Nobile | P. Davide Cozzoli
Source: Nanomaterials (review, 2022-05-18)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Synthetic Approaches to Colloidal Nanocrystal Heterostructures Based on Metal and Metal-Oxide Materials Composite inorganic nanoarchitectures, based on combinations of distinct materials, represent advanced solid-state constructs, where coexistence and synergistic interactions among nonhomologous optical, magnetic, chemical, and catalytic properties lay a basis for the engineering of enhanced or even unconventional functionalities. Such systems thus hold relevance for both theoretical and applied nanotechnology-based research in diverse areas, spanning optics, electronics, energy management, (photo)catalysis, biomedicine, and environmental remediation. Wet-chemical colloidal synthetic techniques have now been refined to the point of allowing the fabrication of solution free-standing and easily processable multicomponent nanocrystals with sophisticated modular heterostructure, built upon a programmed spatial distribution of the crystal phase, composition, and anchored surface moieties. Such last-generation breeds of nanocrystals are thus composed of nanoscale domains of different materials, assembled controllably into core/shell or heteromer-type configurations through bonding epitaxial heterojunctions. This review offers a critical overview of achievements made in the design and synthetic elaboration of colloidal nanocrystal heterostructures based on diverse associations of transition metals (with emphasis on plasmonic metals) and transition-metal oxides. Synthetic strategies, all leveraging on the basic seed-mediated approach, are described and discussed with reference to the most credited mechanisms underpinning regioselective heteroepitaxial deposition. The unique properties and advanced applications allowed by such brand-new nanomaterials are also mentioned. Nanotechnology ; Materials science ; Nanocrystal ; Heterojunction ; Nanomaterials Gold and Silver Nanoparticles Synthesis and Applications ; Quantum Dots Synthesis And Properties ; Copper-based nanomaterials and applications