jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Tarek A. Elkhooly | Habiba Elhendawi | Liqiang He | Fangzheng Chen | Qingling Feng | Xujie Liu
Source: International Journal of Biological Macromolecules (article, 2024-11-18)
Field: Materials Science — Biomaterials

Anionic polysaccharides mixture control the assembly of nanoscale building blocks of calcium carbonate into hierarchical spherical and rod-shaped mesocrystals Calcium carbonate ; Nanoscopic scale ; Polysaccharide ; Carbonate ; Materials science ; Nanotechnology ; Chemical engineering ; Chemistry ; Organic chemistry ; Engineering ; Composite material ; Metallurgy Calcium Carbonate Crystallization and Inhibition ; Bone Tissue Engineering Materials ; Pickering emulsions and particle stabilization
Authors: Min-Ju Kim | K. H. Kim | Joon Hyuk Lee | Eunkyung Jeon | Jungkun Song | Jaeho Choi | Hyeonuk Yeo | Ki-Ho Nam
Source: Polymers (review, 2024-10-21)
Field: Materials Science — Polymers and Plastics

Phenylethynyl-Terminated Imide Oligomer-Based Thermoset Resins Phenylethynyl-terminated imide (PETI) oligomers are highly valued for their diverse applications in films, moldings, adhesives, and composite material matrices. PETIs can be synthesized at varying molecular weights, enabling the fine-tuning of their properties to meet specific application requirements. Upon thermal curing, these oligomers form super-rigid network structures that enhance solvent resistance, increase glass-transition temperatures, and improve elastic moduli. Their low molecular weights and melt viscosities further facilitate processing, making them particularly suitable for composites and adhesive bonding. This review examines recent advancements in developing ultra-high-temperature PETIs, focusing on their structure-processing-properties relationships. It begins with an overview of the historical background and key physicochemical characteristics of PETIs, followed by a detailed discussion of PETIs synthesized from monomers featuring noncoplanar configurations (including kink and cardo structures), fluorinated groups, flexible linkages, and liquid crystalline mesogenic structures. The review concludes by addressing current challenges in this research field and exploring potential future directions. Thermosetting polymer ; Oligomer ; Imide ; Materials science ; Composite material ; Polymer chemistry ; Polymer science Synthesis and properties of polymers ; Epoxy Resin Curing Processes ; Membrane Separation and Gas Transport
Authors: Jing-Zheng Zhang | Yibao Zhang | H Chai | Hui-Ling Luo | Chenxia Du | Ren‐Wu Huang | Shuang‐Quan Zang
Source: Angewandte Chemie (article, 2024-09-19)
Field: Chemistry — Organic Chemistry

Selectivity Modulation of Multistep Reduction Reactions by Gold Nanoclusters Abstract The selective synthesis of valuable azo‐ and azoxyaromatic chemicals via transfer coupling of nitroaromatic compounds has been achieved by fine‐tuning the catalyst structure. Here, a direct method to modulate nitrobenzene reduction and selectively alter the product from azobenzene to azoxybenzene by employing the size effect of Au is reported. Au nanoclusters (NCs) with smaller sizes embedded in ZIF‐8 controllably converted nitrobenzene into azoxybenzene, while supported Au nanoparticles (NPs) selectively catalyzed nitrobenzene reduction to azobenzene. X‐ray photoelectron spectroscopy (XPS) and Diffuse reflectance infrared Fourier transform spectroscopy on CO adsorption (CO‐DRIFTS) of Au NC/ZIF‐8 revealed a higher valence state and a lower electron density of Au than that of Au NP/ZIF‐8, combined with the desorption of azoxybenzene from the Au NC and Au NP surface, suggesting that the Au NCs with lower electron density exhibit stronger adsorption. Density functional theory (DFT) calculations and charge density difference maps indicated that azoxybenzene bonded to Au NC/ZIF‐8 with greater adsorption energy, resulting in more electron transfer between azoxybenzene and the generated Au sites, which inhibited further reduction of azoxybenzene and resulted in high azoxybenzene selectivity. The application of the size effect of Au particles to regulate nitrobenzene transfer coupling provided new insights into the structure‐selectivity relationships. Nanoclusters ; Selectivity ; Modulation (music) ; Reduction (mathematics) ; Chemistry ; Combinatorial chemistry ; Nanotechnology ; Materials science ; Organic chemistry ; Physics ; Catalysis Nanomaterials for catalytic reactions ; Nanocluster Synthesis and Applications ; Catalytic Processes in Materials Science
Authors: Yang Guo | Xiaohui Chu | Yang Deng | Liang Song | Fei Li | Ming Zhang | Fei Xu | Rui Nian | Wenshuai Liu
Source: Advanced Materials Technologies (article, 2024-12-23)
Field: Materials Science — Biomaterials

Development of a Novel Ultra‐Acidic Self‐Assembling Peptides‐Based Hydrogel System for pH‐Tunable Nanobody Delivery Abstract Self‐assembling peptide hydrogels are promising scaffolds for drug delivery, however, the costly chemical synthesis of peptides has limited their widespread application. This study develops an innovative biological recombinant strategy for (RADA) 5 peptide production by fusing with a fibronectin fragment in Escherichia coli . Notably, it is reported for the first time, (RADA) 5 peptides gelates at an extremely acidic pH of 1.2, indicating potential application in the gastrointestinal tract. Circular dichroism reveals a characteristic β‐sheet structure and transmission electron microscopy exhibits a dense and interwoven nanofiber network. The (RADA) 5 peptide hydrogels demonstrate a pH‐responsive release with a substantial nanobody release at pH 6.8 (≈80%) and minimal release at pH 2.0 (&lt;30%). This behavior allows fine‐tuning of nanobody release, potentially enabling retention in the acidic stomach and targeted release in the intestines. Within 24 h, &lt;18% of the encapsulated nanobodies are released at pH 2.0, with sustained release observed upon transition to pH 6.8, achieving a cumulative release of 55% over 14 days. In conclusion, the novel ultra‐acidic (RADA) 5 peptide hydrogels are promising for sustained and controlled release of nanobodies in gastrointestinal disease treatment. Self-healing hydrogels ; Peptide ; Circular dichroism ; Self-assembling peptide ; Chemistry ; Biophysics ; Drug delivery ; Controlled release ; Nanofiber ; Recombinant DNA ; Nanotechnology ; Biochemistry ; Materials science ; Polymer chemistry ; Biology ; Organic chemistry Supramolecular Self-Assembly in Materials ; RNA Interference and Gene Delivery ; Lipid Membrane Structure and Behavior
Authors: Laura García Andújar | Anne‐Laure Brocas | Sylvain Bourrigaud | Sylvie Cazaumayou | Christophe Dérail | Maud Save | Laurent Rubatat
Source: Macromolecules (article, 2024-04-01)
Field: Materials Science — Materials Chemistry

Controlled Asymmetric Lamellar Nanomorphology Obtained through Nitroxide-Mediated Polymerization-Induced Microphase Separation Polymerization-induced microphase separation (PIMS) is a rapid and efficient process to produce nanostructured polymer materials in large-scale. However, so far, it remains a challenge to produce well defined morphologies with long-range ordering and controlled dimension. Herein, we demonstrate that nitroxide-mediated PIMS can generate ordered asymmetric lamellar morphologies of variable size over a long-range, by simple thermal dissociation of the first block. For that purpose, a low fraction (<7.5 wt %) of star poly(n-butyl acrylate-co-styrene) macroalkoxyamine (s-P(BA-co-S)-SG1), end functionalized with the SG1 nitroxide, was initially solubilized in methyl methacrylate monomer (MMA). The s-P(BA-co-S)-SG1 macroinitiator is thermally activated to be chain extended by bulk MMA nitroxide-mediated polymerization, inducing simultaneous self-assembly of the in situ synthesized s-P(nBA-co-S)-b-PMMA block copolymer. This strategy produces asymmetric lamellar morphologies with a large lamella period, up to 350 nm. The addition of varying fractions of a presynthesized PMMA-b-PnBA-b-PMMA triblock copolymer (from 0 to 16 wt %) in the initial formulation is a key point to fine-tune the dimensions of the lamella periods from 350 nm down to 100 nm via a cosurfactant effect. Nitroxide mediated radical polymerization ; Copolymer ; Lamellar structure ; Materials science ; Polymer chemistry ; Lamella (surface anatomy) ; Polymerization ; Methyl methacrylate ; Monomer ; Styrene ; Acrylate ; Polymer ; Chemical engineering ; Radical polymerization ; Composite material Block Copolymer Self-Assembly ; Advanced Polymer Synthesis and Characterization ; Polymer Nanocomposites and Properties
Authors: Carolina Casagualda | Alba López‐Moral | Paula Alfonso-Triguero | Júlia Lorenzo | Ramón Alibés | Félix Busquè | Daniel Ruiz‐Molina
Source: Biomimetics (article, 2024-09-04)
Field: Materials Science — Surfaces, Coatings and Films

Mussel-Inspired Multifunctional Polyethylene Glycol Nanoparticle Interfaces Nanoparticles (NPs) are receiving increasing interest in biomedical applications. However, due to their large surface area, in physiological environments, they tend to interact with plasma proteins, inducing their agglomeration and ultimately resulting in a substantial efficiency decrease in diagnostic and therapeutic applications. To overcome such problems, NPs are typically coated with a layer of hydrophilic and biocompatible polymers, such as PEG chains. However, few examples exist in which this property could be systematically fine-tuned and combined with added properties, such as emission. Herein, we report a novel mussel-inspired catechol-based strategy to obtain biocompatible and multifunctional coatings, using a previously developed polymerization methodology based on the formation of disulfide bridges under mild oxidative conditions. Two families of NPs were selected as the proof of concept: mesoporous silica NPs (MSNPs), due to their stability and known applications, and magnetite NPs (Fe<sub>3</sub>O<sub>4</sub> NPs), due to their small size (<10 nm) and magnetic properties. The PEG coating confers biocompatibility on the NPs and can be further functionalized with bioactive molecules, such as glucose units, through the end carboxylic acid moieties. Once we demonstrated the feasibility of our approach to obtaining PEG-based coatings on different families of NPs, we also obtained multifunctional coatings by incorporating fluorescein functionalities. The resulting coatings not only confer biocompatibility and excellent cell internalization, but also allow for the imaging and tracking of NPs within cells. Polyethylene glycol ; Nanoparticle ; Mussel ; Materials science ; Nanotechnology ; Composite material ; Chemical engineering ; Engineering ; Fishery Polymer Surface Interaction Studies ; Bone Tissue Engineering Materials ; Nanoparticle-Based Drug Delivery
Authors: Jonas Schepper | Andreas Orthaber | Frank Pammer
Source: Chemistry - A European Journal (article, 2024-05-06)
Field: Chemistry — Organic Chemistry

Tetrazole‐Functionalized Organoboranes Exhibiting Dynamic Intramolecular N→B‐Coordination and Cyanide‐Selective Anion Binding Starting from two different cyano-functionalized organoboranes, we demonstrate that 1,3-dipolar [3+2] azide-nitrile cycloaddition can serve to generate libraries of alkyl-tetrazole-functionalized compounds capable of intramolecular N→B-Lewis adduct formation. Due to the relatively low basicity of tetrazoles, structures can be generated that exhibit weak and labile N→B-coordination. The reaction furnishes 1- and 2-alkylated regio-isomers that exhibit different effective Lewis-acidities at the boron centers, and vary in their optical absorption and fluorescence properties. Indeed, we identified derivatives capable of selectively binding cyanide over fluoride, as confirmed by <sup>11</sup>B NMR. This finding demonstrates the potentialities of this synthetic strategy to systematically fine-tune the properties of lead structures that are of interest as chemical sensors. Tetrazole ; Intramolecular force ; Cyanide ; Chemistry ; Ion ; Coordination complex ; Combinatorial chemistry ; Stereochemistry ; Organic chemistry Organoboron and organosilicon chemistry ; Synthesis of Tetrazole Derivatives ; Boron Compounds in Chemistry
Authors: Fatima Anjum | Maximilian Wessner | Bruno De Witte | Noor Al‐Rifai | A. Collas | Gabriele Sadowski
Source: International Journal of Pharmaceutics (article, 2024-01-23)
Field: Materials Science — Materials Chemistry

Tailoring the use of excipients in bottom-up production of naproxen crystal suspensions via membrane technology Long-acting crystal suspensions of active pharmaceutical ingredients (API) mostly comprised of an API, a suspension media (water) and excipients and provide sustained API release over time. Excipients are crucial for controlling particle size and to achieve the stability of the API crystals in suspension. A bottom-up process was designed to produce long-acting crystal suspensions whilst investigating the excipient requirements during the production process and the subsequent storage. PVP K30 emerged as the most effective excipient for generating stable naproxen crystals with the desired size of 1 to 15 μm, using ethanol as solvent and water as anti-solvent. Calculations, performed based on the crystal properties and assuming complete PVP K30 adsorption on the crystal surface, revealed lower PVP K30 requirements during storage compared to initial crystal generation. Consequently, a membrane-based diafiltration process was used to determine and fine-tune PVP K30 concentration in the suspension post-crystallization. A seven-stage diafiltration process removed 98 % of the PVP K30 present in the suspension thereby reducing the PVP-to-naproxen ratio from 1:2 to 1:39 without impacting the stability of naproxen crystals in suspension. This work provides insights into the excipient requirements at various production stages and introduce the membrane-based diafiltration for precise excipient control after crystallization. Naproxen ; Pharmaceutical technology ; Membrane ; Chemistry ; Dosage form ; Nanotechnology ; Materials science ; Chromatography ; Medicine ; Biochemistry Crystallization and Solubility Studies ; Drug Solubulity and Delivery Systems ; Analytical Chemistry and Chromatography
Authors: Qiu‐Shui Mu | Xinyu Wang | Xiang Gao | Guo‐Xin Jin
Source: Small (article, 2024-10-06)
Field: Chemistry — Organic Chemistry

Chiral Self‐Assembly of Twisted Prisms, Cuboids, and Polyhedral Capped Cages with Tartrate Ligands Homochiral triangular prisms, cuboid cages, and capped polyhedral cages are successfully synthesized via coordination-driven self-assembly. Typical tartrate ligands demonstrated notable torsional flexibility and variable coordination numbers, allowing for diverse coordination patterns, including saturated chelation and terminal mono-coordination with half-sandwich rhodium and iridium fragments. The ligand lengths, molar ratios, and metal vertices are meticulously designed and fine-tuned to yield chiral cages with entirely distinct architectures. Tartrate ligand exhibits abundant hydrogen bonding interactions and chiral induction capabilities, these supramolecular assemblies are characterized by single-crystal X-ray diffraction, nuclear magnetic resonance, and circular dichroism spectroscopy. An efficient method is developed for constructing chiral structurally versatile cage-like entities, facilitating self-assembly in complicated multi-component systems. Supramolecular chemistry ; Ligand (biochemistry) ; Tartrate ; Crystallography ; Cuboid ; Circular dichroism ; Materials science ; Hydrogen bond ; Vibrational circular dichroism ; Rhodium ; Iridium ; Chemistry ; Crystal structure ; Inorganic chemistry ; Molecule ; Organic chemistry ; Geometry Supramolecular Chemistry and Complexes ; Metal-Organic Frameworks: Synthesis and Applications ; Supramolecular Self-Assembly in Materials
Authors: Miguel Tinoco | José Miguel Lendínez | J.M. González-Calbet | Bianchi Méndez | Julio Ramírez‐Castellanos | P. Hidalgo
Source: Nanoscale Advances (article, 2024-01-01)
Field: Materials Science — Materials Chemistry

Controllable synthesis and morphology-dependent light emission efficiency of Zn<sub>2</sub>GeO<sub>4</sub> nanophosphors Zn<sub>2</sub>GeO<sub>4</sub> is considered a very promising alternative to current luminescent semiconductors. Previous results suggest that its emitted wavelength may depend on different variables, such as particle size and morphology, among others. In this work, we have prepared pure and highly homogeneous Zn<sub>2</sub>GeO<sub>4</sub> nanorods under hydrothermal synthesis conditions with a willemite-like structure. Their luminescent properties have been explored and their band gap is estimated, which are distinct from those of previously reported Zn<sub>2</sub>GeO<sub>4</sub> bulk particles. Therefore, our results identify particle morphology as a crucial factor for maximizing and fine-tuning the luminescence of Zn<sub>2</sub>GeO<sub>4</sub> nano-phosphors. Materials science ; Morphology (biology) ; Optoelectronics ; Zinc ; Nanotechnology ; Optics ; Metallurgy ; Physics ; Geology Luminescence Properties of Advanced Materials ; Advanced Photocatalysis Techniques ; Gas Sensing Nanomaterials and Sensors
Authors: Takeru Yamada | Daiki Shimizu | Kenji Matsuda
Source: The Journal of Physical Chemistry Letters (article, 2024-08-30)
Field: Chemistry — Organic Chemistry

Oxidation of Weakly Interacting Diradicals: An Approach for Strong and Tunable Near-Infrared-Absorbing Dyes Based on Small Chromophores Near-infrared (NIR)-absorbing dyes are valuable for various applications, such as bioimaging and electronic devices. This work introduces a novel approach for designing NIR dyes, oxidation of weakly coupled diradicals. Our approach features a weak exchange interaction in diradicals, which potentially leads to bonding/antibonding molecular orbitals with a small energy gap. We found that removing one of two singly occupied molecular orbital electrons of the diradicals results in an exceptionally narrow frontier orbital energy gap. We examined a series of Blatter radical dimers, and the most weakly coupled diradical prepared in this work (<i>ΔE</i><sub>ST</sub> ∼ 0.12 eV) with a molecular weight of 590 Da exhibited a strong NIR absorption band reaching 2200 nm upon one-electron oxidation. The optical band gaps of the radical cations strongly correlate to the exchange interaction in the precursor neutral species, offering prediction and fine-tuning of the optical band gap in the NIR region. Antibonding molecular orbital ; Diradical ; Chromophore ; Molecular orbital ; Atomic orbital ; Photochemistry ; Chemical physics ; Band gap ; Chemistry ; Infrared ; Electron ; Materials science ; Molecular physics ; Optoelectronics ; Molecule ; Atomic physics ; Physics ; Optics Synthesis and Properties of Aromatic Compounds ; Luminescence and Fluorescent Materials ; Organic Light-Emitting Diodes Research
Authors: Rushikesh S. Ambekar | Leonardo V. Bastos | Douglas S. Galvão | Chandra Sekhar Tiwary | Cristiano F. Woellner
Source: Carbon Trends (article, 2024-11-19)
Field: Materials Science — Biomaterials

Material extrusion of topologically engineered architecture inspired by carbon-based interlocked petal-schwarzites • Developed a new class of porous structure named petal-schwarzites. • The mechanical response can be tuned by the number of interlocked layers. • The stress concentration region is mitigated using multi-layered petal-schwarzites. Exploiting the topologically engineered complex Schwarzite architecture has allowed the creation of innovative and distinctive structural elements possessing high specific strength. These fundamental building blocks' mechanical characteristics can be fine-tuned by reinforcing them with more robust architectures featuring high surface areas. In this work, we have fabricated six distinct Schwarzite-based structures composed of multiple interlocked layers, termed architecturally interlocked petal-schwarzites. These intricate structures have been additively manufactured into macroscopic dimensions and subjected to uniaxial compression. Experimental findings reveal a correlation between the mechanical response and the number of layers. Additionally, fully atomistic molecular dynamics compressive simulations have been carried out, yielding results that are in good agreement with the experimental observations. These simulations provide insights into the underlying mechanism of high specific strength and energy absorption exhibited by architecturally interlocked petal-schwarzites. The proposed methodology introduces a new perspective on the development of engineered additively manufactured materials with tunable and enhanced mechanical properties. Extrusion ; Petal ; Architecture ; Carbon fibers ; Materials science ; Nanotechnology ; Computer science ; Composite material ; Biology ; Art ; Ecology ; Visual arts Calcium Carbonate Crystallization and Inhibition ; Advanced Theoretical and Applied Studies in Material Sciences and Geometry ; Building materials and conservation
Authors: XiaoYing Sun | Jianzhuo Lu | Bin Qin | Zhen Zhao | Bo Li
Source: The Journal of Physical Chemistry C (article, 2024-09-28)
Field: Materials Science — Materials Chemistry

Revealing of Intrinsic Relation between Surface Atomic Geometry and Catalytic Mechanism of CuNi Alloy Catalyst in CO<sub>2</sub> Hydrogenation to Methanol It is well-known that the catalytic mechanism and performance are strongly dependent on the exposed surfaces of metal catalysts. This concept is further broadened and elaborated in the current work for the bimetallic NiCu catalyst in CO2 hydrogenation to methanol. (100), (110), and (111) facets of NiCu with either Cu or Ni termination, which consisted of five different surfaces, are investigated by DFT-based microkinetic simulation. The unique surface geometry of the alloy surface results in the distinct electronic structure as revealed from electron localization function and PDOS analyses. CO2 molecule exhibits strong chemisorption on all surfaces with a bent bond angle which is significantly activated upon adsorption. Three mechanisms, including formate, RWGS + COhydro, and CO + O, are explored at the same footing. It is concluded that the first step in the pathway has pivotal importance to determine the favorable mechanism. From the reaction pathway analysis, it is found that direct C–O bond breaking has a comparable barrier with the hydrogenation step which is not usually observed for metallic catalysts in CO2 hydrogenation. In general, hydrogen addition to carbon in the CO2 molecule has a smaller barrier than the counterpart of addition to oxygen. The precisely exposed atom on the bimetallic catalyst largely determined both performance and mechanism which complemented the concept of surface-dependent catalytic properties. Microkinetic simulation indicated that the (111) surface with Cu termination has the largest TOF of methanol formation in the experimental relevant temperature, and the favorable mechanism is ascribed to be formate. Moreover, both thermodynamics and kinetic control steps are identified from the degree of rate control analysis. Overall, the current work deepened the importance of fine tuning the surface geometry to adjust the catalytic performance and mechanism and paved the way for further development of bimetallic catalysts for CO2 hydrogenation. Catalysis ; Alloy ; Materials science ; Methanol ; Chemical engineering ; Mechanism (biology) ; Surface (topology) ; Crystallography ; Metallurgy ; Geometry ; Chemistry ; Organic chemistry ; Physics Catalytic Processes in Materials Science ; Catalysts for Methane Reforming ; Catalysis and Oxidation Reactions