jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Yasuyuki Yamada | Kentaro Morita | Takuya Sugiura | Yuka Toyoda | Nozomi Mihara | Masanari Nagasaka | Hikaru Takaya | Kiyohisa Tanaka | Takanori Koitaya | Naoki Nakatani | Hiroko Ariga-Miwa | Satoru Takakusagi | Yutaka Hitomi | Toshiji Kudo | Yuta Tsuji | Kazunari Yoshizawa | Kentaro Tanaka
Source: JACS Au (article, 2023-01-10)
Field: Materials Science — Materials Chemistry

Stacking of a Cofacially Stacked Iron Phthalocyanine Dimer on Graphite Achieved High Catalytic CH <sub>4</sub> Oxidation Activity Comparable to That of pMMO Numerous biomimetic molecular catalysts inspired by methane monooxygenases (MMOs) that utilize iron or copper-oxo species as key intermediates have been developed. However, the catalytic methane oxidation activities of biomimetic molecule-based catalysts are still much lower than those of MMOs. Herein, we report that the close stacking of a μ-nitrido-bridged iron phthalocyanine dimer onto a graphite surface is effective in achieving high catalytic methane oxidation activity. The activity is almost 50 times higher than that of other potent molecule-based methane oxidation catalysts and comparable to those of certain MMOs, in an aqueous solution containing H<sub>2</sub>O<sub>2</sub>. It was demonstrated that the graphite-supported μ-nitrido-bridged iron phthalocyanine dimer oxidized methane, even at room temperature. Electrochemical investigation and density functional theory calculations suggested that the stacking of the catalyst onto graphite induced partial charge transfer from the reactive oxo species of the μ-nitrido-bridged iron phthalocyanine dimer and significantly lowered the singly occupied molecular orbital level, thereby facilitating electron transfer from methane to the catalyst in the proton-coupled electron-transfer process. The cofacially stacked structure is advantageous for stable adhesion of the catalyst molecule on the graphite surface in the oxidative reaction condition and for preventing decreases in the oxo-basicity and generation rate of the terminal iron-oxo species. We also demonstrated that the graphite-supported catalyst exhibited appreciably enhanced activity under photoirradiation owing to the photothermal effect. Catalysis ; Phthalocyanine ; Chemistry ; Dimer ; Bimetal ; Photochemistry ; Stacking ; Graphite ; Electron transfer ; Inorganic chemistry ; Organic chemistry ; Physical chemistry Porphyrin and Phthalocyanine Chemistry ; Metal-Catalyzed Oxygenation Mechanisms ; Advanced Nanomaterials in Catalysis
Authors: Saffron J. Bryant | Aaron Elbourne | Tamar L. Greaves | Gary Bryant
Source: Journal of Materials Chemistry B (article, 2023-01-01)
Field: Chemistry — Organic Chemistry

Phytantriol phase behaviour in choline chloride urea and water mixtures Deep eutectic solvents (DES) are tailorable non-aqueous solvents with promising properties for a range of applications, from industrial dissolution of plant products to biomedicine. They are mixtures of hydrogen bond donors and acceptors with low melting points that can be tailored to specific applications, and many support the self-assembly of amphiphilic molecules into lyotropic liquid crystal phases. Self-assembled lipid structures have potential for numerous applications, including drug delivery. These ordered structures can act as carriers, slow-release vehicles, or microreactors. Lipid self-assembly in non-aqueous solvents, such as deep eutectic solvents, is important for applications at extreme temperatures, or involving water-insoluble or water sensitive components. However, lipid self-assembly in these solvents remains largely unexplored. In this paper, we have examined the self-assembly of phytantriol, a non-ionic lipid, at 10 and 30 wt% in the deep eutectic solvent choline chloride:urea, with and without water. Self-assembly was assessed using small angle X-ray scattering and cross polarised optical microscopy at temperatures from 25-66 °C. We found that pure choline chloride:urea supports a <i>Pn</i>3<i>m</i> cubic phase similar to that formed in water. However, mixtures of the DES with water resulted in phytantriol forming an inverse hexagonal phase and influenced the phase transition temperatures. These results demonstrate that choline chloride:urea can support diverse phase behaviour, and also provides a mechanism for tailoring the phase for particular applications simply by controlling the amount of water in the solvent. In the future this could lead to methods of triggered release of drugs and biomolecules by the simple addition of water which could be critical for drug delivery applications. Urea ; Choline chloride ; Phase (matter) ; Materials science ; Hexagonal phase ; Chloride ; Hexagonal crystal system ; Choline ; Phase transition ; Chemical engineering ; Chemistry ; Crystallography ; Organic chemistry ; Metallurgy ; Biochemistry ; Thermodynamics Surfactants and Colloidal Systems ; Lipid Membrane Structure and Behavior ; Ionic liquids properties and applications
Authors: Arvind Ganesan | Peter Metz | Raghuram Thyagarajan | Y. A. Chang | Stephen C. Purdy | Krishna C. Jayachandrababu | Katharine Page | David S. Sholl | Sankar Nair
Source: The Journal of Physical Chemistry C (article, 2023-11-30)
Field: Chemistry — Inorganic Chemistry

Structural and Adsorption Properties of ZIF-8-7 Hybrid Materials Synthesized by Acid Gas-Assisted and <i>De Novo</i> Routes The tuning of micropore environments in zeolitic imidazolate frameworks (ZIFs) by mixed-linker synthesis has the potential for enabling new molecular separation properties. However, <i>de novo</i> synthesis of mixed-linker (hybrid) ZIFs is often challenging due to the disparate chemical properties of the different linkers. Here, we elucidate the structure and properties of an unconventional ZIF-8-7 hybrid material synthesized via a controlled-acid-gas-assisted degradation and reconstruction (solvent-assisted crystal redemption, SACRed) strategy. Selective insertion of benzimidazole (ZIF-7 linker) into ZIF-8 using SACRed is used as a facile method to generate a ZIF-8-7 hybrid material that is otherwise difficult to synthesize by <i>de novo</i> methods. Detailed crystal structure and textural characterizations clarify the significant differences in the microstructure of the SACRed-derived ZIF-8-7 hybrid material relative to a <i>de novo</i> synthesized hybrid of the same overall linker composition as well as the parent ZIF-8 material. Unary and binary adsorption measurements reveal the tunability of adsorption characteristics as well as the prevalence of nonideal cooperative mixture adsorption effects that lead to large deviations from predictions made with ideal adsorbed solution theory. Zeolitic imidazolate framework ; Linker ; Adsorption ; Microporous material ; Materials science ; Hybrid material ; Nanotechnology ; Crystal (programming language) ; Chemical engineering ; Combinatorial chemistry ; Metal-organic framework ; Chemistry ; Organic chemistry ; Computer science Metal-Organic Frameworks: Synthesis and Applications ; Covalent Organic Framework Applications ; Membrane Separation and Gas Transport
Authors: Monica Neagu | Fabia Grisi | Alfio Pulvirenti | Rosana Simón‐Vázquez | Carlos A. García‐González | Antonella Caterina Boccia
Source: Safety (article, 2023-11-20)
Field: Chemistry — Spectroscopy

Updated Aspects of Safety Regulations for Biomedical Applications of Aerogel Compounds—Compendia-Like Evaluation Aerogels have recently started to be considered as “advanced materials”; therefore, as a general consideration, aerogels’ toxicity testing should focus on their functionality which resides in their nanoscale open internal porosity. To assess the hazards of organic aerogels, testing at three levels may characterize their biophysical, in vitro and in vivo toxicity, defining distinct categories of aerogels. At the first level of testing, their abiotic characteristics are investigated, and the best aerogel(s) is forwarded to be tested at level 2, wherein in vitro methodologies may mainly evaluate the aerogels’ cellular behavior. Within level 2 of testing, the main characteristics of toxicity are investigated and the selected aerogels are introduced to in vivo animal models at level 3. In the animal model testing, target organs are investigated along with systemic parameters of toxicity. Some study cases are presented for organic or anorganic aerogels. Within this tiered workflow, aerogels-based materials can be tested in terms of human health hazard. Aerogel ; Workflow ; Toxicity ; In vivo ; Hazard ; Nanotechnology ; Biochemical engineering ; Materials science ; Computer science ; Chemistry ; Engineering ; Biotechnology ; Biology Aerogels and thermal insulation ; Advanced Sensor and Energy Harvesting Materials ; biodegradable polymer synthesis and properties
Authors: Leandro Benatto | João Paulo Araújo Souza | Matheus F. F. das Neves | Lucimara S. Roman | Rodrigo B. Capaz | Graziâni Candiotto | Marlus Koehler
Source: ACS Applied Energy Materials (article, 2023-11-07)
Field: Chemistry — Organic Chemistry

Enhancing the Chemical Stability and Photovoltaic Properties of Highly Efficient Nonfullerene Acceptors by Chalcogen Substitution: Insights from Quantum Chemical Calculations The chemical stability of the nonfullerene acceptor (NFA) is the Achilles’ heel of the research on state-of-the-art organic solar cells (OSC). The fragility of NFA is essentially due to the weak bond that links the central donor core of the molecules with their acceptor moieties at the edges. Here, we proposed the replacement of thiophene at the outer-core position of traditional NFAs for tellurophene, a hitherto unexplored modification. Since tellurium is a distinctive element among chalcogens, the basic features of Te compounds cannot be deduced straightforwardly from the properties of their lighter analogues, S and Se. The modeled Te-based NFAs presented interesting features such as stronger intra- and intermolecular interactions induced by a distinctive secondary bond effect between the end acceptor moiety and the outer chalcogen atom. This design strategy resulted in stiffer molecules with red-shifted absorption spectra and less susceptible to degradation, verified through stress tests and vibrational spectra analysis. Besides that, a weakened exciton binding energy has been found, opening the possibility of blends with a lower driving force. Our results shed light on several aspects of selenation and telluration of traditional NFAs, providing valuable insights into the possible consequences for OSCs applications. Chalcogen ; Quantum chemical ; Substitution (logic) ; Photovoltaic system ; Chemical stability ; Materials science ; Nanotechnology ; Computational chemistry ; Chemistry ; Computer science ; Crystallography ; Organic chemistry ; Engineering ; Molecule Fullerene Chemistry and Applications ; Organic Electronics and Photovoltaics ; Quantum Dots Synthesis And Properties
Authors: E. Dhanumalayan | Beatriz Rodríguez | Ganna Kovtun | P. Hidalgo | Bianchi Méndez | S. Kaleemulla | Girish M. Joshi | M. Teresa Cuberes
Source: Nanomaterials (article, 2023-12-19)
Field: Materials Science — Materials Chemistry

Nanostructural Characterization of Luminescent Polyvinyl Alcohol/Graphene Quantum Dots Nanocomposite Films This study focuses on the fabrication of polymer nanocomposite films using polyvinyl alcohol (PVA)/graphene quantum dots (GQDs). We investigate the relationship between the structural, thermal, and nanoscale morphological properties of these films and their photoluminescent response. Although according to X-ray diffraction (XRD), Fourier-transform infrared spectroscopy (FT-IR), and differential thermal analysis (DTA), the incorporation of GQDs does not significantly affect the percentage crystallinity of the PVA matrix, for a range of added GQD concentrations, atomic force microscopy (AFM) showed the formation of islands with apparent crystalline morphology on the surface of the PVA/GQD films. This observation suggests that GQDs presumably act as nucleating agents for island growth. The incorporation of GQDs also led to the formation of characteristic surface pores with increased stiffness and frictional contrast, as indicated by ultrasonic force microscopy (UFM) and frictional force microscopy (FFM) data. The photoluminescence (PL) spectra of the films were found to depend both on the amount of GQDs incorporated and on the film morphology. For GQD loads >1.2%wt, a GQD-related band was observed at ~1650 cm<sup>-1</sup> in FT-IR, along with an increase in the PL band at lower energy. For a load of ~2%wt GQDs, the surface morphology was characterized by extended cluster aggregates with lower stiffness and friction than the surrounding matrix, and the PL signal decreased. Materials science ; Crystallinity ; Photoluminescence ; Polyvinyl alcohol ; Nanocomposite ; Graphene ; Quantum dot ; Fourier transform infrared spectroscopy ; Chemical engineering ; Nanotechnology ; Composite material ; Optoelectronics Carbon and Quantum Dots Applications ; Graphene and Nanomaterials Applications ; Luminescence and Fluorescent Materials
Authors: Gizem Beliktay | Tayyaba Shaikh | Emirhan Koca | Hande E. Cingil
Source: ACS Omega (article, 2023-09-26)
Field: Chemistry — Organic Chemistry

Effect of UV Irradiation Time and Headgroup Interactions on the Reversible Colorimetric pH Response of Polydiacetylene Assemblies Polydiacetylenes are chromatic conjugated polymers formed upon the photopolymerization of self-assembled diacetylenes. They exhibit conformation-dependent colorimetric responses, usually irreversible, to external triggers. Here, we presented an approach to obtain a reversible colorimetric response to a pH change through structural modifications on the monomer and extended photopolymerization time. Both factors, enhanced hydrogen bond forming headgroups and longer UV exposure, impacted the rotational freedom of polydiacetylene conformation. Such a restricted conformation state reduced colorimetric response efficiency but enabled reversible colorimetric response to a pH change. These results highlight the possibility of obtaining a reversible colorimetric pH response of polydiacetylenes for customized sensing applications through monomer-level tailoring combined with tuning the photopolymerization time. Polydiacetylenes ; Photopolymer ; Monomer ; Chemistry ; Photochemistry ; Polymer ; Diacetylene ; Irradiation ; Conjugated system ; Polymerization ; Polymer chemistry ; Organic chemistry Polydiacetylene-based materials and applications ; Antimicrobial Peptides and Activities ; Supramolecular Self-Assembly in Materials
Authors: C. Macchi | Guilherme Magalhaes Petinardi | Leonardo Almeida Freire | M.S. Castro | C. M. Aldao | Thaís Marcial Luiz | F. Moura | A.Z. Simões | H. Moreno | E. Longo | A. Somoza | Marcelo Assis | M.A. Ponce
Source: Dalton Transactions (article, 2023-11-30)
Field: Materials Science — Materials Chemistry

Tracking of structural defects induced by Eu-doping in β-Ag<sub>2</sub>MoO<sub>4</sub>: their influences on electrical properties In this study, several methods were employed to investigate the electrical characteristics of β-Ag<sub>2</sub>MoO<sub>4</sub> systems, both Eu-doped and undoped, synthesized using the microwave-assisted hydrothermal method. The focus extended to understanding how synthesis time influences material defects, with doping fixed at 1%. A systematic shift in the silver vacancy (V<sub>Ag</sub>) concentration was observed within the doped β-Ag<sub>2</sub>MoO<sub>4</sub> system. Specifically, this study demonstrated that the incorporation of Eu<sup>3+</sup> into polycrystalline β-Ag<sub>2</sub>MoO<sub>4</sub> initially increases the V<sub>Ag</sub> concentration. However, as the synthesis time progresses, the V<sub>Ag</sub> concentration decreases, resulting in alterations in the resulting electrical properties, arising from the intricate interplay between the number of grain boundaries and carrier density. By combining information obtained from photoluminescence, positron annihilation lifetime spectroscopy, and impedance spectroscopy, a comprehensive conduction mechanism was formulated, shedding light on both doped and undoped β-Ag<sub>2</sub>MoO<sub>4</sub> systems. Doping ; Hydrothermal circulation ; Materials science ; Tracking (education) ; Microwave ; Nanotechnology ; Optoelectronics ; Chemical engineering ; Computer science ; Telecommunications ; Engineering Luminescence Properties of Advanced Materials ; Catalytic Processes in Materials Science ; Transition Metal Oxide Nanomaterials
Authors: Marika Gargano | Claudia Florio | Giovanni Sannia | Vincenzo Lettera
Source: Clean Technologies and Environmental Policy (article, 2023-06-01)
Field: Materials Science — Biomaterials

From leather wastes to leather: enhancement of low quality leather using collagen recovered from leather tanned wastes Abstract Leather industry produces huge amounts of solid wastes. In the last decade, several methods for the recovery and valorization of these wastes were developed, mainly focused on the extraction of collagen using chemical methods. The extracted collagen, due to its poor quality, is mostly used in agriculture as a nitrogen source ingredient of fertilizers. This study aims to apply collagen, extracted from leather tanned solid wastes using a recently reported new process based on enzymatic hydrolysis, as filling agent for low quality leather. Thanks to the enzymatic hydrolysis, collagen can be extracted without affecting its integrity and, therefore, its quality. In order to use the extracted collagen as filler for low quality leather, an enzymatic mediated cross-linking reaction between collagen and casein was developed. The enzymatic cross-linking reaction was added as an additional phase of the re-tanning process or as a replacement of one of the re-tanning steps. To evaluate the filling effect, thickness of the treated leather was measured and infrared and microscopy analyses were performed, comparing the new methods to the traditional standard one. The mechanical properties of the filled leather were tested and the sensorial features, such as fullness and touch feelings, were estimated through a panel test. Results suggest the high potential of extracted collagen to be employed back in leather processing both as additive and as substitutive filler. Graphical abstract Extraction (chemistry) ; Pulp and paper industry ; Filler (materials) ; Enzymatic hydrolysis ; Materials science ; Hydrolysis ; Waste management ; Chemistry ; Composite material ; Chromatography ; Organic chemistry ; Engineering Collagen: Extraction and Characterization ; Dyeing and Modifying Textile Fibers ; Silk-based biomaterials and applications
Authors: Lorenzo Metilli | Héloïse Ugo | William Chèvremont | Cyril Picard | Frédéric Pignon
Source: Soft Matter (article, 2023-01-01)
Field: Chemistry — Inorganic Chemistry

Self-supported MOF/cellulose-nanocrystals materials designed from ultrafiltration Metal-organic-frameworks (MOFs) are promising materials for addressing critical issues such as petrochemical separation, water purification, energy storage and drug delivery. Their large-scale deployment, however, is hampered by a limited processability due to their powdery nature. Recently, the hybridization of MOFs with biopolymers has emerged as a greener, biocompatible strategy to shape MOFs composites into more processable membranes, films, and porous materials. In this work, cellulose nanocrystals (CNCs) were used in combination with ZIF-8 (a widely used synthetic zeolite) to produce hybrid composites through ultrafiltration. Results showed that small quantities of CNCs (1 to 20 CNC:ZIF-8 volume ratio) were sufficient to form a self-supported, dense deposit with high ZIF-8 loadings. Compared to classical MOF <i>in situ</i> growth strategies, this approach allowed the tuning of the composition of the final nanocomposite by controlling the nature and quantities of particles in the suspension. The fabrication of the deposit was strongly dependent on the physiochemical properties of the suspension, which were fully characterized with a set of complementary techniques, including <i>in situ</i> SAXS. This technique was employed to investigate the filtration process, which exhibited a homogeneous deposition of ZIF-8 particles mediated by CNC self-assembly. Finally, the available pore volume and integrity of the internal porosity of ZIF-8 were characterized by water porosimetry, demonstrating that the presence of CNCs did not alter the properties of the supported ZIF-8. Materials science ; Porosimetry ; Chemical engineering ; Porosity ; Membrane ; Suspension (topology) ; Small-angle X-ray scattering ; Metal-organic framework ; Nanotechnology ; Cellulose ; Nanocomposite ; Ultrafiltration (renal) ; Fabrication ; Porous medium ; Composite material ; Adsorption ; Chromatography ; Organic chemistry ; Chemistry Metal-Organic Frameworks: Synthesis and Applications ; Advanced Cellulose Research Studies ; Membrane Separation Technologies
Authors: Joshua M. Little | Jiayue Sun | Ali Kamali | Amy Chen | Asher C. Leff | Yang Li | Leah K. Borden | Thilini Dissanayake | Deborah Essumang | Benita O. Oseleononmen | Dongxia Liu | Taylor J. Woehl | Po‐Yen Chen
Source: Advanced Functional Materials (article, 2023-05-07)
Field: Materials Science — Materials Chemistry

Noble Metal Ion‐Directed Assembly of 2D Materials for Heterostructured Catalysts and Metallic Micro‐Texturing Abstract Assembling 2D‐material (2DM) nanosheets into micro‐ and macro‐architectures with augmented functionalities requires effective strategies to overcome nanosheet restacking. Conventional assembly approaches involve external binders and/or functionalization, which inevitably sacrifice 2DM's nanoscale properties. Noble metal ions (NMI) are promising ionic crosslinkers, which can simultaneously assemble 2DM nanosheets and induce synergistic properties. Herein, a collection of NMI–2DM complexes are screened and categorized into two sub‐groups. Based on the zeta potentials, two assembly approaches are developed to obtain 1) NMI‐crosslinked 2DM hydrogels/aerogels for heterostructured catalysts and 2) NMI–2DM inks for templated synthesis. First, tetraammineplatinum(II) nitrate (TPtN) serves as an efficient ionic crosslinker to agglomerate various 2DM dispersions. By utilizing micro‐textured assembly platforms, various TPtN–2DM hydrogels are fabricated in a scalable fashion. Afterward, these hydrogels are lyophilized and thermally reduced to synthesize Pt‐decorated 2DM aerogels (Pt@2DM). The Pt@2DM heterostructures demonstrate high, substrate‐dependent catalytic activities and promote different reaction pathways in the hydrogenation of 3‐nitrostyrene. Second, PtCl 4 can be incorporated into 2DM dispersions at high NMI molarities to prepare a series of PtCl 4 –2DM inks with high colloidal stability. By adopting the PtCl 4 –graphene oxide ink, various Pt micro‐structures with replicated topographies are synthesized with accurate control of grain sizes and porosities. Materials science ; Nanotechnology ; Ionic liquid ; Metal ions in aqueous solution ; Catalysis ; Nanoscopic scale ; Self-healing hydrogels ; Chemical engineering ; Metal ; Polymer chemistry ; Chemistry ; Organic chemistry MXene and MAX Phase Materials ; Covalent Organic Framework Applications ; Advanced Photocatalysis Techniques