jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Antonio Rubio-Andrés | Delfi Bastos‐González | Miguel Ángel Fernández-Rodríguez
Source: Journal of Molecular Liquids (article, 2024-03-24)
Field: Materials Science — Materials Chemistry

Tuning the bulk behavior and 2D interfacial self-assembly of microgels by keggin-type polyoxometalate ionic specificity Finding new ways to tune the behavior of thermoresponsive microgels in bulk and confined at 2D liquid interfaces is key to achieve a deeper understanding and control of these smart materials. We studied the interaction of positively and negatively charged pNIPAM microgels with the Keggin-type polyoxometalate Na3PW12O40 (POM3−). In bulk, we observed charge inversions of the positively charged microgels below and above the volume phase transition temperature (VPTT) at significantly low POM3− concentrations as 5⋅10−5 M. In the presence of POM3−, both microgels exhibited a deswelling-swelling-deswelling behavior below the VPTT, and a two-step further deswelling above the VPTT for the positively charged microgels. When the later were confined at 2D water/air interfaces, adding 10−5 M of POM3− below the VPTT was equivalent to heating above the VPTT and compressing the monolayer from 5 to 20mN m−1. Above the VPTT, the diameter at the interface did not change while the portion immersed in the subphase further deswelled, in agreement with the behavior in bulk. Adding more POM3− did not change the diameter at the interface nor the height of the microgels, showing a saturation effect in 2D. The restructuring of the pNIPAM polymeric network by the POM3− was characterized by EDS mapping and XPS. The microgel monolayers with POM3− improved their resistance to plasma etching, which could be useful for soft colloidal lithography. Polyoxometalate ; Self-assembly ; Ionic bonding ; Materials science ; Chemical engineering ; Ionic liquid ; Chemistry ; Inorganic chemistry ; Nanotechnology ; Chemical physics ; Ion ; Catalysis ; Organic chemistry Polyoxometalates: Synthesis and Applications ; Mesoporous Materials and Catalysis ; Covalent Organic Framework Applications
Authors: Jimena Castro‐Gutiérrez | Jacek Jagiełło | Alain Celzard | Vanessa Fierro
Source: Chemical Engineering Journal (article, 2024-08-17)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Introducing a novel Hierarchy-Connectivity factor for characterizing micro-mesoporous materials Mesoporous material ; Hierarchy ; Factor (programming language) ; Nanotechnology ; Computer science ; Materials science ; Chemistry ; Political science ; Programming language ; Organic chemistry Supercapacitor Materials and Fabrication ; Mesoporous Materials and Catalysis ; Zeolite Catalysis and Synthesis
Authors: Santra Merin Saju | Anuj A. Vargeese
Source: New Journal of Chemistry (article, 2024-01-01)
Field: Materials Science — Materials Chemistry

Synthesis of perforated single-crystalline Mn<sub>2</sub>O<sub>3</sub> microcubes for thermocatalytic applications Perforated mesoporous manganese( iii ) oxide microcubes (PMOM) were synthesized via morphology-conserved transformation of precursor method and enhanced surface reactions catalyse the decomposition of ammonium perchlorate, a solid propellant oxidizer. Chemistry ; Nanotechnology ; Chemical engineering Catalytic Processes in Materials Science ; Gas Sensing Nanomaterials and Sensors ; Catalysis and Oxidation Reactions
Authors: Carmen Bretón | Paula Oroz | M.R. Torres | Marı́a M. Zurbano | Pilar García‐Orduña | Alberto Avenoza | Jesús H. Busto | Francisco Corzana | Jesús M. Peregrina
Source: ACS Omega (article, 2024-10-30)
Field: Chemistry — Organic Chemistry

Exploring Photoredox Catalytic Reactions as an Entry to Glycosyl-α-amino Acids The synthesis of glycosyl-α-amino acids presents a significant challenge due to the need for precise glycosidic linkages connecting carbohydrate moieties to amino acids while maintaining stereo- and regiochemical fidelity. Classical methods relying on ionic intermediates (2e<sup>-</sup>) often involve intricate synthetic procedures, particularly when dealing with 2-<i>N</i>-acetamido-2-deoxyglycosides linked to α-amino acids-a crucial class of glycoconjugates that play important biological roles. Considering the growing prominence of photocatalysis, this study explores various photoredox catalytic approaches to achieving glycosylation reactions. Our focus lies on the notoriously difficult case of 2-<i>N</i>-acetamido-2-deoxyglycosyl-α-amino acids, which could be obtained efficiently by two methodologies that involved, on the one hand, photoredox Giese reactions using a chiral dehydroalanine (Dha) as an electron density-deficient alkene in these radical 1,4-additions and, on the other hand, photoredox glycosylations using selenoglycosides as glycosyl donors and hydroxyl groups of protected amino acids as acceptors. Glycosyl ; Chemistry ; Photoredox catalysis ; Catalysis ; Combinatorial chemistry ; Organic chemistry ; Photocatalysis Carbohydrate Chemistry and Synthesis ; Enzyme Catalysis and Immobilization ; Chemical Synthesis and Analysis
Authors: Tingyuan Tan | Yangqian Hou | Jiali Shi | Biao Wang | Yi Zhang
Source: Materials Today Bio (article, 2024-01-17)
Field: Materials Science — Biomaterials

Biostable hydrogels consisting of hybrid β-sheet fibrils assembled by a pair of enantiomeric peptides The assembly of chiral peptides facilitates the formation of diverse supramolecular structures with unique physicochemical and biological properties. However, the effects of chirality on peptide assembly and resulting hydrogel properties remain underexplored. In this study, we systematically investigated the assembly propensity, morphology, and biostability of mixture of a pair of enantiomeric peptides <sup>L</sup>E<sup>L</sup>C<sup>L</sup>A<sup>L</sup>F<sup>L</sup>F (ECF-5) and <sup>D</sup>E<sup>D</sup>C<sup>D</sup>A<sup>D</sup>F<sup>D</sup>F (ecf-5) at various ratios. Results indicate the development of β-sheet fibrils, ultimately leading to the formation of self-supporting hybrid hydrogels. The hydrogel formed at a ratio of 1:1 exhibits a significantly lower storage modulus (G') than of the ratios of 0:1, 1:3, 3:1 and 1:0 (n<sub>D</sub>/n<sub>L</sub>; same below). Kink-separated fragments of approximately 100 nm in length predominate at ratios of 1:3 and 3:1, compared with the smooth fibrils at other ratios, probably attributed to an alternating arrangement of the co-assembled and self-assembled peptide fragments. The introduction of ecf-5 to the hybrid hydrogels improves resistance to proteolytic digestion and maintains commendable biocompatibility in both MIN6 and HUVECs cells. These findings provide valuable insights into the development of hydrogels with tailored properties, positing them potential scaffolds for 3D cell culture and tissue engineering. Self-healing hydrogels ; Biocompatibility ; Self-assembly ; Fibril ; Peptide ; Chirality (physics) ; Enantiomer ; Biophysics ; Supramolecular chemistry ; Chemistry ; Tissue engineering ; Nanotechnology ; Morphology (biology) ; Chemical engineering ; Materials science ; Crystallography ; Stereochemistry ; Polymer chemistry ; Biochemistry ; Organic chemistry ; Biomedical engineering ; Crystal structure Supramolecular Self-Assembly in Materials ; Polydiacetylene-based materials and applications ; Photochromic and Fluorescence Chemistry
Authors: Marcus Wolf | Nagore Izaguirre | Jalel Labidi | A. Ribes‐Greus
Source: Journal of Applied Polymer Science (article, 2024-12-27)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Enhanced Conductivity of Chitosan Composite Membranes With Fractionated Kraft and Organosolv Lignin ABSTRACT Different bio‐based chitosan composites containing kraft or organosolv lignin submitted to successive extraction steps (ethyl acetate and then ethanol) are modified by immersion in a sulfuric acid solution to prepare membranes with suitable conductive properties. Characterization with Fourier‐transform infrared (FTIR) spectroscopy, thermogravimetric analysis (TGA), oxidative stability, water uptake studies, electron and proton conductivity assessments, and fuel cell performance tests contribute to understanding the relationship between the composite's structure and their properties. Immersion of the biocomposites in sulfuric acid solution incorporates sulfate groups, which form ionic interactions between the polymer chains. The stability of the modified biocomposites against radical oxidative degradation is improved. The dry biocomposites exhibit low electron conductivities 10 −14 and 10 −10 S cm −1 between −10°C and 60°C and show their potential to be used as electrical insulators. The sulfuric acid modification also disrupts the crystalline structure and renders the composites more hydrophilic, allowing for greater water absorption. As a result, the proton transport is facilitated, resulting in increased proton conductivity and power output in an H 2 /O 2 fuel cell. Due to the increased affinity between the sulfate groups and the composites containing organosolv lignin fractions, they exhibit better oxidative stability, higher water uptake, and proton conductivity. Organosolv ; Lignin ; Chitosan ; Kraft paper ; Composite number ; Membrane ; Materials science ; Chemical engineering ; Chemistry ; Composite material ; Polymer chemistry ; Polymer science ; Organic chemistry Supercapacitor Materials and Fabrication ; Conducting polymers and applications ; Fuel Cells and Related Materials
Authors: Laura Cabrera-Villamizar | Cristina Campano | Amparo López-Rubio | María José Fabra | M. Auxiliadora Prieto
Source: Carbohydrate Polymers (article, 2024-08-10)
Field: Materials Science — Biomaterials

Tailoring the structural and physicochemical properties of rice straw cellulose-based cryogels by cell-mediated polyhydroxyalkanoate deposition This study presents a novel biotechnological approach for creating water vapor-resistant cryogels with improved integrity. Rice straw cellulose was transformed into nanofibrils through TEMPO-mediated oxidation and high-pressure homogenization. The resulting cryogels remained firm even when immersed in aqueous media, whose pores were used by live cell to deposit polyhydroxyalkanoate (PHA) particles inside them. This novel method allowed the compatibilization of PHA within the cellulosic fibers. As a consequence, the water sorption capacity was decreased by up to 6 times having just 4 % of PHA compared to untreated cryogels, preserving the cryogel density and elasticity. Additionally, this technique can be adapted to various bacterial strains and PHA types, allowing for further optimization. It was demonstrated that the amount and type of PHA (medium chain length and small chain length-PHA) used affects the properties for the cryogels, especially the water vapor sorption behavior and the compressive strength. Compared to traditional coating methods, this cell-mediated approach not only allows to distribute PHA on the surface of the cryogel, but also ensures polymer penetration throughout the cryogel due to bacterial self-movement. This study opens doors for creating cryogels with tunable water vapor sorption and other additional functionalities through the use of specialized PHA variants. Polyhydroxyalkanoates ; Chemical engineering ; Sorption ; Bacterial cellulose ; Cellulose ; Materials science ; Polymer ; Chemistry ; Adsorption ; Composite material ; Organic chemistry Advanced Cellulose Research Studies ; Electrospun Nanofibers in Biomedical Applications ; biodegradable polymer synthesis and properties
Authors: Osnat Zapata‐Arteaga | Bernhard Dörling | Ivan Álvarez-Corzo | Kai Xu | J. S. Reparaz | Mariano Campoy‐Quiles
Source: ACS Applied Electronic Materials (article, 2024-03-05)
Field: Materials Science — Materials Chemistry

Upscaling Thermoelectrics: Micron-Thick, Half-a-Meter-Long Carbon Nanotube Films with Monolithic Integration of p- and n-Legs In order for organic thermoelectrics to successfully establish their own niche as energy-harvesting materials, they must reach several crucial milestones, including high performance, long-term stability, and scalability. Performance and stability are currently being actively studied, whereas demonstrations of large-scale compatibility are far more limited and for carbon nanotubes (CNTs) are still missing. The scalability challenge includes material-related economic considerations as well as the availability of fast deposition methods that produce large-scale films that simultaneously satisfy the thickness constraints required for thermoelectric modules. Here we report on true solutions of CNTs that form gels upon air exposure, which can then be dried into micron-thick films. The CNT ink can be extruded using a slot-shaped nozzle into a continuous film (more than half a meter in the present paper) and patterned into alternating n- and p-type components, which are then folded to obtain the finished thermoelectric module. Starting from a given n-type film, differentiation between the n and p components is achieved by a simple postprocessing step that involves a partial oxidation reaction and neutralization of the dopant. The presented method allows the thermoelectric legs to seamlessly interconnect along the continuous film, thus avoiding the need for metal electrodes, and, most importantly, it is compatible with large-scale printing processes. The resulting thermoelectric legs retain 80% of their power factor after 100 days in air and about 30% after 300 days. Using the proposed methodology, we fabricate two thermoelectric modules of 4 and 10 legs that can produce maximum power outputs of 1 and 2.4 μW, respectively, at a temperature difference Δ<i>T</i> of 46 K. Carbon nanotube ; Materials science ; Metre ; Thermoelectric materials ; Nanotechnology ; Thermoelectric effect ; Optoelectronics ; Composite material ; Physics ; Thermal conductivity ; Thermodynamics Advanced Thermoelectric Materials and Devices ; Carbon Nanotubes in Composites ; Thermal properties of materials
Authors: Victoria Avalos-Ballester | Brenda Acosta | Elena Smolentseva
Source: ACS Omega (article, 2024-08-27)
Field: Chemistry — Organic Chemistry

Remarkable Enhancement of Catalytic Reduction of Nitrophenol Isomers by Decoration of Ni Nanosheets with Cu Species Herein, the catalytic reduction of isomers of nitrophenols (NPS) using Ni <sub><i>x</i></sub> Cu <sub><i>y</i></sub> nanostructures with different molar ratios is presented. Ni <sub><i>x</i></sub> Cu <sub><i>y</i></sub> catalysts are prepared using star-shaped Ni nanoparticles as seeds. The applied synthesis transforms Ni nanoparticles into sheet-like structures when Cu species are deposited on them. The bimetallic sheet-like Ni <sub><i>x</i></sub> Cu <sub><i>y</i></sub> nanostructures demonstrate high catalytic activity to reduce NP isomers concerning their monometallic counterparts. The contribution of the Cu<sup>+</sup> species affects the catalytic reduction of the NPS isomers. For example, the catalytic reduction of 4-nitrophenol (4-NP) depends on the Ni:Cu molar ratio: Ni<sub>1.75</sub>Cu > Cu > NiCu > Ni<sub>7</sub>Cu > Ni<sub>3.5</sub>Cu > Ni. The Ni<sub>7</sub>Cu catalyst exhibits the highest catalytic activity in the reduction of nitrophenol isomers 2-nitrophenol (2-NP) and 3-nitrophenol (3-NP), and the obtained results are comparable with those reported for noble-metal-based catalysts. The low-cost production of Ni <sub><i>x</i></sub> Cu <sub><i>y</i></sub> catalysts and their high catalytic stability and availability make them attractive for industrial applications. 4-Nitrophenol ; Nitrophenol ; Catalysis ; Reduction (mathematics) ; Selective catalytic reduction ; Materials science ; Chemical engineering ; Chemistry ; Organic chemistry ; Engineering ; Mathematics Nanomaterials for catalytic reactions ; Copper-based nanomaterials and applications ; Catalytic Processes in Materials Science
Authors: Renso Visbal | Noelia Rosado | Jhon Zapata‐Rivera | M. Concepción Gimeno
Source: Inorganic Chemistry (article, 2024-03-05)
Field: Chemistry — Organic Chemistry

Isolation of a Cyclic Trinuclear Gold(I) Complex with Metalated Phosphorus Ylides: Synthesis and Structural Properties The first chiral and luminescent cyclic trinuclear gold(I) complex, [{AuCH(PPh<sub>2</sub>Me)(Ph<sub>2</sub>P)}<sub>3</sub>]<sup>3+</sup>, has been isolated with metalated phosphorus ylides (PY). This complex was initially obtained through the reaction of either mononuclear [C<sub>6</sub>F<sub>5</sub>SAuCH(PPh<sub>2</sub>Me)(Ph<sub>2</sub>P)]OTf or dinuclear [C<sub>6</sub>F<sub>5</sub>S{AuCH(PPh<sub>2</sub>Me)(Ph<sub>2</sub>P)}<sub>2</sub>](OTf)<sub>2</sub> thiolate-gold-phosphane complexes in the presence of NaH, followed by the abstraction of the thiopyridine moiety employing either AgOTf or [Cu(CH<sub>3</sub>CN)<sub>4</sub>]PF<sub>6</sub>. Our quest for a more efficient synthesis route led to the development of a streamlined one-pot synthesis method, employing Ag(acac) as both a halogen abstractor and a base, offering a quicker and more direct path to this intriguing trimer. Comprehensive computational studies have unveiled the luminescent characteristics of this complex, which can be attributed to phosphorescence. These emissions originate from ligand-to-metal (LMCT) and metal-centered (MC) charge transfer excited states. Furthermore, the structural analysis via X-ray crystallography corroborated the formation of a trimeric species, featuring three monomers with the [AuCH(PPh<sub>2</sub>Me)(Ph<sub>2</sub>P)] motif. Each monomer exhibits a single chiral center, leading to four possible absolute configurations (RRR, RRS, RSR, and SRR). NMR and X-ray spectroscopy have provided valuable insights, establishing that the former configuration (RRR) is disfavored due to steric hindrance, while the three remaining configurations can interconvert, arising from the structural arrangement of the metallacycle and inherent symmetry operations. Chemistry ; Trimer ; Steric effects ; Crystallography ; Stereochemistry ; Metallacycle ; Monomer ; Ligand (biochemistry) ; Metal ; Dimer ; X-ray crystallography ; Organic chemistry Catalytic Alkyne Reactions ; Cyclopropane Reaction Mechanisms ; Catalytic C–H Functionalization Methods
Authors: Pan‐Chyr Yang | Yu-Ching Hsu | Jie-Ren Li | Shyh‐Chyang Luo
Source: Langmuir (article, 2024-11-21)
Field: Materials Science — Surfaces, Coatings and Films

Quantitatively Elucidating the Trade-Off between Zwitterionic Antifouling Surfaces and Bioconjugation Performance Zwitterionic materials, known for their high hydrophilicity, are widely used to minimize the nonspecific adsorption of biomolecules in complex biological solutions. However, these materials can also reduce the capture efficiency between targets and peptide probes. To demonstrate how antifouling surfaces affect capture efficiency, we utilize a poly(3,4-ethylenedioxythiophene) (PEDOT)-based surface incorporating varying ratios of phosphorylcholine (PEDOT-PC) and maleimide functional groups to achieve both antifouling properties and peptide-protein binding. As a model system, the peptide YWDKIKDFIGGSSSSC, attached via maleimide groups, is used to capture the target protein, calmodulin (CaM). By systematically monitoring protein binding on both antifouling and peptide-immobilized PEDOT surfaces using a quartz crystal microbalance with dissipation, the results reveal that PEDOT-PC reduces both the specific binding between peptides and target proteins as well as the rate of protein fouling on the electrode surface. From these findings, we propose an equation for quantitative analysis. Furthermore, electrochemical impedance spectroscopy and differential pulse voltammetry are performed to measure the changes in the impedance in CaM solutions. The data indicate that impedance increases with protein adsorption, confirming the practical utility of the designed electrode surface. PEDOT:PSS ; Quartz crystal microbalance ; Biofouling ; Protein adsorption ; Dielectric spectroscopy ; Chemistry ; Maleimide ; Adsorption ; Biomolecule ; Peptide ; Cyclic voltammetry ; Bioconjugation ; Chemical engineering ; Electrode ; Combinatorial chemistry ; Electrochemistry ; Membrane ; Polymer chemistry ; Organic chemistry ; Physical chemistry ; Biochemistry Polymer Surface Interaction Studies ; Conducting polymers and applications ; Analytical Chemistry and Sensors
Authors: Hossein Omidian | Niloofar Babanejad
Source: Macromol—A Journal of Macromolecular Research (article, 2024-04-02)
Field: Materials Science — Biomaterials

Bioinspired Polymers: Bridging Nature’s Ingenuity with Synthetic Innovation This review delves into the cutting-edge field of bioinspired polymer composites, tackling the complex task of emulating nature’s efficiency in synthetic materials. The research is dedicated to creating materials that not only mirror the strength and resilience found in natural structures, such as spider silk and bone, but also prioritize environmental sustainability. The study explores several critical aspects, including the design of lightweight composites, the development of reversible adhesion methods that draw inspiration from nature, and the creation of high-performance sensing and actuation devices. Moreover, it addresses the push toward more eco-friendly material practices, such as ice mitigation techniques and sustainable surface engineering. The exploration of effective energy storage solutions and the progress in biomaterials for biomedical use points to a multidisciplinary approach to surpass the existing barriers in material science. This paper highlights the promise held by bioinspired polymer composites to fulfill the sophisticated needs of contemporary applications, highlighting the urgent call for innovative and sustainable advancements. Ingenuity ; Bridging (networking) ; Nanotechnology ; Materials science ; Computer science ; Epistemology ; Philosophy biodegradable polymer synthesis and properties ; 3D Printing in Biomedical Research
Authors: Paul Strasser | Verena Schinegger | Joachim Friske | Oliver Brüggemann | Thomas H. Helbich | Ian Teasdale | Irena Pashkunova-Martic
Source: Journal of Functional Biomaterials (article, 2024-02-10)
Field: Materials Science — Materials Chemistry

Superfluorinated, Highly Water-Soluble Polyphosphazenes as Potential 19F Magnetic Resonance Imaging (MRI) Contrast Agents "Hot spot" <sup>19</sup>F magnetic resonance imaging (MRI) has garnered significant attention recently for its ability to image various disease markers quantitatively. Unlike conventional gadolinium-based MRI contrast agents, which rely on proton signal modulation, <sup>19</sup>F-MRI's direct detection has a unique advantage in vivo, as the human body exhibits a negligible background <sup>19</sup>F-signal. However, existing perfluorocarbon (PFC) or PFC-based contrast materials suffer from several limitations, including low longitudinal relaxation rates and relatively low imaging efficiency. Hence, we designed a macromolecular contrast agent featuring a high number of magnetically equivalent <sup>19</sup>F-nuclei in a single macromolecule, adequate fluorine nucleus mobility, and excellent water solubility. This design utilizes superfluorinated polyphosphazene (PPz) polymers as the <sup>19</sup>F-source; these are modified with sodium mercaptoethanesulfonate (MESNa) to achieve water solubility exceeding 360 mg/mL, which is a similar solubility to that of sodium chloride. We observed substantial signal enhancement in MRI with these novel macromolecular carriers compared to non-enhanced surroundings and aqueous trifluoroacetic acid (TFA) used as a positive control. In conclusion, these novel water-soluble macromolecular carriers represent a promising platform for future MRI contrast agents. Macromolecule ; MRI contrast agent ; Polyphosphazene ; Materials science ; Nuclear magnetic resonance ; Magnetic resonance imaging ; Solubility ; Gadolinium ; Trifluoroacetic acid ; Relaxation (psychology) ; Relaxometry ; Aqueous solution ; Chemistry ; Polymer ; Organic chemistry ; Spin echo ; Biochemistry Lanthanide and Transition Metal Complexes ; Advanced MRI Techniques and Applications ; Magnetism in coordination complexes