jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Carolina Casagualda | Juan Mancebo‐Aracil | Miguel Angel Moreno Villaecija | Alba López‐Moral | Ramón Alibés | Félix Busquè | Daniel Ruiz‐Molina
Source: Biomimetics (article, 2022-12-21)
Field: Materials Science — Surfaces, Coatings and Films

Mussel-Inspired Lego Approach for Controlling the Wettability of Surfaces with Colorless Coatings The control of surface wettability with polyphenol coatings has been at the forefront of materials research since the late 1990s, when robust underwater adhesion was linked to the presence of L-DOPA-a catecholic amino acid-in unusually high amounts, in the sequences of several mussel foot proteins. Since then, several successful approaches have been reported, although a common undesired feature of most of them is the presence of a remnant color and/or the intrinsic difficulty in fine-tuning and controlling the hydrophobic character. We report here a new family of functional catechol-based coatings, grounded in the oxidative condensation of readily available pyrocatechol and thiol-capped functional moieties. The presence of at least two additional thiol groups in their structure allows for polymerization through the formation of disulfide bonds. The synthetic flexibility, together with its modular character, allowed us to: (I) develop coatings with applications exemplified by textiles for oil-spill water treatment; (II) develop multifunctional coatings, and (III) fine-tune the WCA for flat and textile surfaces. All of this was achieved with the application of colorless coatings. Wetting ; Catechol ; Adhesion ; Adhesive ; Materials science ; Flexibility (engineering) ; Coating ; Polymerization ; Condensation ; Thiol ; Disulfide bond ; Chemical engineering ; Mussel ; Contact angle ; Modular design ; Nanotechnology ; Organic chemistry ; Polymer chemistry ; Chemistry ; Composite material ; Computer science ; Layer (electronics) ; Polymer Polymer Surface Interaction Studies ; Marine Biology and Environmental Chemistry ; Surface Modification and Superhydrophobicity
Authors: Daria V. Chernysheva | Maksim S. Konstantinov | Ekaterina A. Sidash | Victor А. Klushin | D. V. Tokarev | Veronica E. Andreeva | Vera V. Butova | В. В. Каичев | Н. В. Смирнова | Valentine P. Ananikov
Source: Energy Technology (article, 2022-12-08)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Tuning Sugar Biomass Waste Conversion for the Preparation of Carbon Materials for Supercapacitors and Catalysts for Oxygen Reduction Agriculture is the most massive material circulation activity of humans, with significant annual volumes of production as well as substantial amounts of waste. Transforming agricultural wastes into high‐value‐added products is the key to sustainable development with efficient usage of renewable resources. The present study demonstrates the fine‐tuning of the sugar beet pulp processing to access two types of materials for cutting edge applications—supercapacitors and fuel cells. Alkaline fine‐tuning results in N,O‐doped carbon material (CM) with an advantageous combination of surface area and morphology that allows to achieve high specific capacitance (308 F g −1 ), and excellent stability (&gt;10 000 charge/discharge cycles). Not limited to the CM preparation and characterization, a real device is created in the present study to demonstrate the efficient usage of the carbon electrode in the form of the assembled coin cell. Acidic fine‐tuning, in contrast, yields a methodology for P,N,O‐doped material and optimizes to form active sites with electrocatalytic activity in the oxygen reduction reaction that is used for electricity production in proton‐exchange membrane fuel cells. The developed approach demonstrates the tuning of functional properties and morphology of CMs under experimentally simple conditions using conventional reagents (KOH and H 3 PO 4 ) and opens up new directions in the circular biomass usage projects. Supercapacitor ; Materials science ; Biomass (ecology) ; Chemical engineering ; Renewable energy ; Carbon fibers ; Biofuel ; Deoxygenation ; Proton exchange membrane fuel cell ; Pulp (tooth) ; Catalysis ; Pulp and paper industry ; Nanotechnology ; Capacitance ; Waste management ; Electrode ; Chemistry ; Organic chemistry ; Composite material Supercapacitor Materials and Fabrication ; Advanced battery technologies research ; Fuel Cells and Related Materials
Authors: Rumen Lyapchev | Ana I. Koleva | Iskra Z. Koleva | Kristian Subev | Ivelina Madzharova | Kristina B. Simeonova | Nevena I. Petkova‐Yankova | Bernd Morgenstern | Vesela Lozanova | Petar Petrov | Rositca D. Nikolova
Source: Molecules (article, 2022-11-07)
Field: Chemistry — Organic Chemistry

Efficient Synthesis of Fluorescent Coumarins and Phosphorous-Containing Coumarin-Type Heterocycles via Palladium Catalyzed Cross-Coupling Reactions Quantum-chemical calculations on the spectral properties of some aryl substituted 3-phosphonocoumarins were performed, and the effect of the substituents in the aryl moiety was evaluated. The structures possessing promising fluorescent properties were successfully synthesized via Suzuki and Sonogashira cross-coupling. The synthetic protocol was also applied for the phosphorous chemoisomer of 3-phosphonocoumarin, 1,2-benzoxaphosphorin, and their carboxylate analogues. The optical properties of the arylated and alkynylated products were experimentally determined. The obtained quantum-chemical and experimental results give the possibility for a fine tuning of the optical properties of phosphorous-containing coumarin systems by altering the substituent at its C-6 position. Sonogashira coupling ; Substituent ; Aryl ; Chemistry ; Moiety ; Fluorescence ; Coumarin ; Palladium ; Coupling reaction ; Combinatorial chemistry ; Suzuki reaction ; Catalysis ; Photochemistry ; Organic chemistry Radical Photochemical Reactions ; Organophosphorus compounds synthesis ; Catalytic Cross-Coupling Reactions
Authors: David Pizzi | James Humphries | Joshua P. Morrow | Ayaat Mahmoud | Nicholas L. Fletcher | Stefan Sonderegger | Craig A. Bell | Kristofer J. Thurecht | Kristian Kempe
Source: Biomacromolecules (article, 2022-12-05)
Field: Materials Science — Polymers and Plastics

Probing the Biocompatibility and Immune Cell Association of Chiral, Water-Soluble, Bottlebrush Poly(2-oxazoline)s Poly(2-oxazoline)s (POx) have received substantial attention as poly(ethylene glycol) (PEG) alternatives in the biomedical field due to their biocompatibility, high functionality, and ease of synthesis. While POx have demonstrated strong potential as biomaterial constituents, the larger family of poly(cyclic imino ether)s (PCIE) to which POx belongs remains widely underexplored. One highly interesting sub-class of PCIE is poly(2,4-disubstituted-2-oxazoline)s (PdOx), which bear an additional substituent on the backbone of the polymers' repeating units. This allows fine-tuning of the hydrophilic/hydrophobic balance and renders the PdOx chiral when enantiopure 2-oxazoline monomers are used. Herein, we synthesize new water-soluble (<i>R</i>-/<i>S</i>-/<i>RS</i>-) poly(oligo(2-ethyl-4-methyl-2-oxazoline) methacrylate) (P(OEtMeOxMA)) bottlebrushes and compare them to well-established PEtOx- and PEG-based bottlebrush controls in terms of their physical properties, hydrophilicity, and biological behavior. We reveal that the P(OEtMeOxMA) bottlebrushes show a lower critical solution temperature behavior at a physiologically relevant temperature (∼44 °C) and that the enantiopure (<i>R</i>-/<i>S</i>-) variants display a chiral secondary structure. Importantly, we demonstrate the biocompatibility of the chiral P(OEtMeOxMA) bottlebrushes through cellular association and mouse biodistribution studies and show that these systems display higher immune cell association and organ accumulation than the two control polymers. These novel materials possess properties that hold promise for applications in the field of nanomedicine and may be beneficial carriers for therapeutics that require enhanced cellular association and immune cell interaction. Biocompatibility ; Oxazoline ; Chemistry ; Ethylene glycol ; Enantiopure drug ; Nanomedicine ; Polymer ; Polymer chemistry ; Nanotechnology ; Materials science ; Organic chemistry ; Nanoparticle Synthesis and properties of polymers ; biodegradable polymer synthesis and properties ; Advanced Polymer Synthesis and Characterization
Authors: Tatjana Šafarik | Aleksandar Karajić | Stéphane Reculusa | Philip N. Bartlett | Nicolas Mano | Alexander Kuhn
Source: Advanced Functional Materials (article, 2022-11-30)
Field: Chemistry — Electrochemistry

Bottom‐Up Designed Porous Coaxial Twin‐Electrodes for Efficient Redox Cycling Abstract Redox cycling (RC) is a powerful tool capable of amplifying faradaic currents in electroanalytical measurements, thus allowing an enhancement of sensitivity through fast multiple sequential oxidation and reduction reactions of a redox‐active analyte. Present state‐of‐the‐art RC devices are mostly based on planar electrode geometries either in 2D or 3D configurations, requiring cleanroom facilities and expensive microfabrication techniques. Here, the electrochemical elaboration and characterization of a 3D coaxial macroporous twin‐electrode is reported, obtained by following a low‐cost bottom‐up approach. A nanoengineered highly organized porous material is the basis for the design of two threaded cylindrical porous gold microelectrodes with a gap in the micrometer range that can be fine‐tuned. The potentials of the outer and inner electrodes are biased at values above and below the redox potential of the analyte so that a given molecule can participate several times in the electron exchange reaction by shuttling between both electrodes. The resulting signal amplification, combined with a straightforward synthesis strategy of the electrode architecture, allows envisioning numerous (bio)electroanalytical applications. Materials science ; Electrode ; Redox ; Nanotechnology ; Analyte ; Coaxial ; Microfabrication ; Microelectrode ; Potentiostat ; Electrochemistry ; Electroforming ; Optoelectronics ; Fabrication ; Computer science ; Chemistry ; Layer (electronics) Electrochemical Analysis and Applications ; Electrochemical sensors and biosensors ; Electrocatalysts for Energy Conversion
Authors: Yun-Xia Qu | Ze‐Yu Ruan | Bang‐Heng Lyu | Yan‐Cong Chen | Guo‐Zhang Huang | Jun‐Liang Liu | Ming‐Liang Tong
Source: Dalton Transactions (article, 2022-01-01)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Opening magnetic hysteresis <i>via</i> improving the planarity of equatorial coordination by hydrogen bonding Through a mixed-ligand strategy, the structural change from a discrete dinuclear Dy<sup>III</sup> cluster to a one-dimensional polymeric chain was achieved, maintaining the two magnetic entities with the same {Dy(dppbO<sub>2</sub>)<sub>2</sub>(H<sub>2</sub>O)<sub>5</sub>} (dppbO<sub>2</sub> = 1,4-butylenebis(diphenylphosphine oxide)) core structure. Since the hydrogen bonding between the equatorial coordinated water molecules and the guests/solvents/anions is distinct, the local geometry and the equatorial planarity of the first coordination sphere of the central Dy<sup>III</sup> ion become slightly different caused by the second coordination sphere. As a result, the dinuclear compound shows typical butterfly-shaped hysteresis loops, while it significantly opens at zero magnetic field up to 11 K for the 1D polymer, which is unprecedented in coordination polymers. Our experimental observations and theoretical analysis indicate that the hydrogen bonding leads to the fine-tuning of certain bond lengths and angles of the coordination environment, as well as the crystal field to a certain extent, revealing that the second coordination sphere affects the first coordination sphere by hydrogen bonding. Coordination sphere ; Hydrogen bond ; Planarity testing ; Crystallography ; Coordination polymer ; Chemistry ; Coordination geometry ; Ligand (biochemistry) ; Molecule ; Cluster (spacecraft) ; Coordination complex ; Coordination number ; Ion ; Chemical physics ; Crystal structure ; Metal Magnetism in coordination complexes ; Lanthanide and Transition Metal Complexes ; Metal-Organic Frameworks: Synthesis and Applications
Authors: С. В. Кузнецов | Vadim Sedov | Artem Martyanov | Dmitrii S. Vakalov | Ludmila V. Tarala | Ivan Tiazhelov | К. Н. Болдырев
Source: Inorganics (article, 2022-12-05)
Field: Materials Science — Materials Chemistry

Synthesis of Y3Al5O12:Ce Powders for X-ray Luminescent Diamond Composites A concentration series of Y3Al5O12:Ce solid solutions were prepared, and the composition demonstrating the highest X-ray luminescence intensity of cerium was identified. Based on the best composition, a series of luminescent diamond–Y3Al5O12:Ce composite films were synthesized using microwave plasma-assisted chemical vapor deposition (CVD) in methane–hydrogen gas mixtures. Variations in the amounts of the embedded Y3Al5O12:Ce powders allowed for the fine-tuning of the luminescence intensity of the composite films. Luminescence ; Materials science ; Cerium ; Diamond ; Chemical vapor deposition ; Composite number ; Chemical engineering ; Analytical Chemistry (journal) ; Composite material ; Nanotechnology ; Optoelectronics ; Metallurgy ; Chemistry Luminescence Properties of Advanced Materials ; Diamond and Carbon-based Materials Research ; High-pressure geophysics and materials
Authors: Paszkál Papp | Ágota Tóth | Dezső Horváth
Source: Chemical Engineering Science (article, 2022-07-28)
Field: Materials Science — Materials Chemistry

Spatial precipitate separation enhanced by complex formation The separation of inorganic precipitates with similar solubility products is a challenging task in chemical engineering. We present a computational fluid dynamics study of a precipitation reaction in a flow-driven reactor. For a reference study, the cobalt(II)-copper(II)-oxalate system is selected, where precipitation occurs simultaneously and the difference in solubility is within an order of magnitude as shown experimentally. For general description of two metal ions competing for one common anion, several parameters have been varied to identify the factors responsible for spatial separation. Two new quantities, the mean position of sedimented particles and the precipitation excess, are introduced to characterize the extent of separation. The calculations have shown that complex formation prior to nucleation makes the separation feasible for a wide range of thermodynamic or kinetic parameters. The injection rate can be used for fine tuning both the amounts of precipitate and their spatial separation when complexes are present. Precipitation ; Solubility ; Nucleation ; Chemistry ; Separation process ; Separation (statistics) ; Aqueous solution ; Oxalate ; Ion ; Thermodynamics ; Inorganic chemistry ; Chromatography ; Physical chemistry ; Organic chemistry ; Meteorology ; Physics Crystallization and Solubility Studies ; Minerals Flotation and Separation Techniques ; Clay minerals and soil interactions
Authors: Maria Lucia Protopapa | Emiliano Burresi | Martino Plamisano | E. Pesce | Loredana Latterini | Nicola Taurisano | Giulia Quaglia | Raffaello Mazzaro | Vittorio Morandi
Source: Applied Spectroscopy (article, 2022-09-06)
Field: Materials Science — Materials Chemistry

Changing the Microstructural and Chemical Properties of Graphene Oxide Through a Chemical Route The aim of this work is to investigate the possibility of engineering desired molecular sp<sup>2</sup> structures in graphene oxide, via controlled oxidation of graphite powder, in order to achieve tunable chemical and microstructural properties useful for optoelectronics or sensing applications. Specifically, GO powder is obtained by a modified Hummers method, by using different concentrations of potassium permanganate (KMnO<sub>4</sub>) in order to change the number of oxygen functionalities in the graphitic structure. Then, a successive alkaline treatment is performed by increasing the KOH concentration. The alkaline treatment induces a noticeable variation of the GO microstructural and chemical properties, which is accompanied by a strong enhancement of photoluminecence. PL and PLE measurements reveal that the configuration of electronic energy states changes as a function of the KMnO<sub>4</sub> and KOH concentration, by introducing further electronic n levels available for n→π* transitions. In particular, the number of sp<sup>2</sup> small domains embedded among oxygen-sp<sup>3</sup> domains, increases under the KOH treatment, due to the addition of OH groups. Most of these sp<sup>2</sup> domains are lifted-off from GO and thrown away in the surnatant giving it high blue photoluminescence excited at λ<sub>exc</sub> ∼ 319 nm. The employ of combined spectroscopy techniques allows a deep investigation of the microstructural and chemical changes induced by chemical treatments, opening the way to the fine tuning of GO functional properties. Potassium permanganate ; Graphene ; Oxide ; Materials science ; Photoluminescence ; X-ray photoelectron spectroscopy ; Oxygen ; Chemical engineering ; Spectroscopy ; Chemical structure ; Permanganate ; Chemical species ; Excited state ; Nanotechnology ; Chemistry ; Inorganic chemistry ; Optoelectronics ; Organic chemistry ; Metallurgy Graphene research and applications ; Graphene and Nanomaterials Applications ; Carbon and Quantum Dots Applications
Authors: Rosana Vaquero-Bermejo | Enrique Blázquez‐Blázquez | Mario Hoyos | José M. Gómez‐Elvira
Source: Materials Today Communications (article, 2022-04-02)
Field: Materials Science — Polymers and Plastics

Synthesis of high thermal stability Polypropylene copolymers with pyrrole functionality Functionalization of polyolefins has been proven to be a promising way to fine-tune their properties, among which, improved thermal stability is crucial for high performance in end-use applications. However, it still remains in academia, as some important issues still need to be resolved for this methodology to move towards industrial scale-up, the most important of them being the development of one-step processes. This work focuses specifically on the development of a single-step functionalization route for the synthesis of high thermal and thermo-oxidative stability polypropylenes. The synthesis of Polypropylene (PP) bearing N-alkyl groups by copolymerization via metallocene catalysis is studied. The copolymers are found to exhibit high thermo-oxidative stability, whose origin appears to be based, not only on the radical scavenging activity of N-alkyl moieties, but also on the associated crosslinking that takes place under processing conditions. Some exploratory results from a solid-state 13CNMR analysis provide support to a radical mechanism, involving coupling between benzyl-like pyrrolyl species. Materials science ; Polypropylene ; Thermal stability ; Copolymer ; Alkyl ; Surface modification ; Pyrrole ; Catalysis ; Chemical engineering ; Polymer chemistry ; Organic chemistry ; Polymer ; Composite material ; Chemistry Polymer crystallization and properties ; Fuel Cells and Related Materials ; Polymer Nanocomposites and Properties
Authors: Reguram Arumugaperumal | Dagninet Yeshiwas Alene | Muthaiah Shellaiah | Venkatesan Srinivasadesikan | Kamlesh Awasthi | Kien Wen Sun | M. C. Lin | Nobuhiro Ohta | Wen‐Sheng Chung
Source: Materials Today Chemistry (article, 2022-06-01)
Field: Chemistry — Organic Chemistry

Construction of anisotropic nanostructures by self-assembly of aggregation-induced emission driven from tris-branched [2]rotaxane based molecular zipper Rotaxane ; Cationic polymerization ; Supramolecular chemistry ; Self-assembly ; Molecule ; Materials science ; Molecular machine ; Nanotechnology ; Chemistry ; Polymer chemistry ; Organic chemistry Supramolecular Chemistry and Complexes ; Luminescence and Fluorescent Materials ; Molecular Sensors and Ion Detection
Authors: Lei Li | Yiqiang Wu | Lili Jiang | Zhen Zhang | Cuihua Tian | Yan Qing
Source: Industrial Crops and Products (article, 2022-12-20)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Structural design on microporous cellulose-derived carbon via freeze-drying and carbonization for enhancing energy storage performances Carbonization ; Supercapacitor ; Materials science ; Microporous material ; Carbon fibers ; Chemical engineering ; Capacitance ; Energy storage ; Porosity ; Cellulose ; Biomass (ecology) ; Electrode ; Nanotechnology ; Composite material ; Chemistry Supercapacitor Materials and Fabrication ; Advancements in Battery Materials ; Advanced Sensor and Energy Harvesting Materials
Authors: Simerpreet Kaur | Naimat K. Bari | Sharmistha Sinha
Source: Amino Acids (article, 2022-02-01)
Field: Materials Science — Materials Chemistry

Varying protein architectures in 3-dimensions for scaffolding and modulating properties of catalytic gold nanoparticles Scaffold ; Nanoparticle ; Nanotechnology ; Template ; Nanoscopic scale ; Colloidal gold ; Fabrication ; Materials science ; Scaffold protein ; Substrate (aquarium) ; Chemistry ; Computer science Nanocluster Synthesis and Applications ; Quantum Dots Synthesis And Properties ; Gold and Silver Nanoparticles Synthesis and Applications
Authors: Hao Deng | Marco Bengsch | Nico Tchorz | Constanze N. Neumann
Source: Chemistry - A European Journal (article, 2022-07-05)
Field: Chemistry — Inorganic Chemistry

Sterically Controlled Late‐Stage Functionalization of Bulky Phosphines The fine-tuning of metal-phosphine-catalyzed reactions relies largely on accessing ever more precisely tuned phosphine ligands by de-novo synthesis. Late-stage C-H functionalization and diversification of commercial phosphines offers rapid access to entire libraries of derivatives based on privileged scaffolds. But existing routes, relying on phosphorus-directed transformations, only yield functionalization of C <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:msub><mml:mrow></mml:mrow> <mml:mrow><mml:mi>sp</mml:mi> <mml:msup><mml:mrow></mml:mrow> <mml:mn>2</mml:mn></mml:msup> </mml:mrow> </mml:msub> </mml:math> -H bonds in a specific position relative to phosphorus. In contrast to phosphorus-directed strategies, herein we disclose an orthogonal functionalization strategy capable of introducing a range of substituents into previously inaccessible positions on arylphosphines. The strongly coordinating phosphine group acts solely as a bystander in the sterically controlled borylation of bulky phosphines, and the resulting borylated phosphines serve as the supporting ligands for palladium during diversification through phosphine self-assisted Suzuki-Miyaura reactions. Steric effects ; Surface modification ; Stage (stratigraphy) ; Chemistry ; Combinatorial chemistry ; Stereochemistry ; Biology Asymmetric Hydrogenation and Catalysis ; Catalytic Cross-Coupling Reactions ; Organophosphorus compounds synthesis