jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: César Vicente-García | Danilo Vona | Annarita Flemma | Stefania R. Cicco | Gianluca M. Farinola
Source: ChemPlusChem (review, 2024-10-18)
Field: Materials Science — Biomaterials

Diatoms in Focus: Chemically Doped Biosilica for Customized Nanomaterials Diatoms are photosynthetic microalgae widely diffused around the globe and well adapted to thrive in diverse environments. Their success is closely related to the nanostructured biosilica shell (frustule) that serves as exoskeleton. Said structures have attracted great attention, thanks to their hierarchically ordered network of micro- and nanopores. Frustules display high specific surface, mechanical resistance and photonic properties, useful for the design of functional and complex materials, with applications including sensing, biomedicine, optoelectronics and energy storage and conversion. Current technology allows to alter the chemical composition of extracted frustules with a diverse array of elements, via chemical and biochemical strategies, without compromising their valuable morphology. We started our research on diatoms from the viewpoint of material scientists, envisaging the possibilities of these nanostructured silica shells as a general platform to obtain functional materials for several applications via chemical functionalization. Our first paper in the field was published in ChemPlusChem ten years ago. Ten years later, in this Perspective, we gather the most recent and relevant functional materials derived from diatom biosilica to show the growth and diversification that this field is currently experiencing, and the key role it will play in the near future. Frustule ; Nanotechnology ; Nanomaterials ; Materials science ; Diatom ; Computer science ; Biology ; Ecology Diatoms and Algae Research ; Analytical Chemistry and Sensors ; Electrochemical sensors and biosensors
Authors: Montaña J. García | Thomas Comerford | Carmen Montoro | Eli Zysman‐Colman | José Alemán | Silvia Cabrera
Source: Journal of Catalysis (article, 2024-02-15)
Field: Materials Science — Materials Chemistry

Enhancing photocatalytic performance of atom transfer radical addition (ATRA) reactions in water using immobilized 10-Phenylphenothiazine catalysts on mesoporous silica supports The development of catalysts is crucial for sustainable chemistry, and heterogeneous catalysis, specifically, can be environmentally friendly and recyclable. Catalyst immobilization in materials has been explored, in which mesoporous silica materials have shown outstanding results in catalysis. Photocatalysis has also gained attention, providing solutions for organic synthesis and late-state functionalization, mainly using homogeneous catalysts and organic solvents. The use of aqueous media for photocatalytic reactions is particularly attractive from a sustainability perspective yet can influence reaction chemoselectivity. However, poor solubility of the organic substrates and the catalyst limits photocatalytic methods in water. Mesoporous silicas are water-stable materials suitable for catalytic applications in such media, including photocatalysis. In this work, we demonstrate an atom transfer radical addition (ATRA) reaction in water using immobilized 10-phenylphenothiazine (PTH) catalyst on different mesoporous silica supports, showing improved photocatalytic performance compared to homogeneous conditions and substrate selectivity depending on the hydrophobicity of the alkene. Catalysis ; Photocatalysis ; Chemistry ; Mesoporous material ; Mesoporous silica ; Heterogeneous catalysis ; Alkene ; Chemoselectivity ; Organic reaction ; Organic chemistry ; Chemical engineering Mesoporous Materials and Catalysis ; Oxidative Organic Chemistry Reactions ; Covalent Organic Framework Applications
Authors: Yongqin Zhu | Zhenyu Ji | Yunzhe Zhou | Mingyan Wu
Source: Journal of Materials Chemistry A (article, 2024-01-01)
Field: Chemistry — Inorganic Chemistry

Aromatic pore surface with multiple adsorption sites for one-step C<sub>2</sub>H<sub>4</sub> acquisition from C<sub>2</sub>H<sub>6</sub>/C<sub>2</sub>H<sub>4</sub> mixture A microporous metal–organic framework with multiple N/O/F sites achieves high-efficiency one-step C 2 H 4 purification from C 2 H 6 /C 2 H 4 mixture. Microporous material ; Adsorption ; Analytical Chemistry (journal) ; Chemistry ; Materials science ; Crystallography ; Physical chemistry ; Mineralogy ; Chromatography ; Organic chemistry Metal-Organic Frameworks: Synthesis and Applications ; Covalent Organic Framework Applications ; Membrane Separation and Gas Transport
Authors: Matteo Alberti | Andrea Dariol | Nicola Panza | Giorgio Abbiati | Alessandro Caselli
Source: Chemistry - An Asian Journal (article, 2024-08-13)
Field: Chemistry — Organic Chemistry

Ammonium Zincates as Catalysts for the Microwave‐Enhanced Synthesis of Symmetric Piperazines by Regioselective Opening of Aziridines 2,5-disubstituted N,N'-alkylpiperazines represent an interesting target in organic synthesis both for pharmaceutical or agrochemical applications and as a promising class of ligands in coordination chemistry. We report here a microwave-enhanced synthesis of these compounds starting from non-activated N-alkyl aziridines in the presence of catalytic amounts of simple ammonium metallates. A remarkable TOF of 2787.9 h<sup>-1</sup> has been observed in the case of [TBA]<sub>2</sub>[ZnI<sub>4</sub>] as the catalyst (catalyst loading 0.1 mol %) and with an almost complete selectivity (up to 97 %) in favor of both diastereoisomers (meso and chiral form) of the target 2,5-disubstituted piperazines, obtained in 1 : 1 ratio. The two isomers are easily separated, because the meso form precipitates in pure from the reaction crude. A stereochemical investigation and the unprecedented isolation of 2,6-disubstituted N,N'-alkylpiperazines allowed us to shed light on the reaction mechanism. Diastereomer ; Catalysis ; Regioselectivity ; Chemistry ; Selectivity ; Ammonium ; Organic chemistry ; Combinatorial chemistry ; Ammonium acetate ; Medicinal chemistry ; High-performance liquid chromatography Synthesis and Catalytic Reactions ; Carbon dioxide utilization in catalysis ; Chemical Synthesis and Reactions
Authors: Declan P. Shannon | Kenneth Cérdan | Minseong Kim | Matthew Mecklenburg | Judy Y. Su | Yueyun Chen | Matthew E. Helgeson | Megan T. Valentine | Craig J. Hawker
Source: Macromolecules (article, 2024-12-06)
Field: Materials Science — Materials Chemistry

Bioinspired Metal–Ligand Networks with Enhanced Stability and Performance: Facile Preparation of Hydroxypyridinone (HOPO)-Functionalized Materials Bioinspired hydroxypyridinone (HOPO)functionalized materials are shown to display a remarkable capacity for stability and for chelating a wide array of metal ions. This allows for the synthesis of multifunctional networks with diverse physical properties when compared to traditional catechol systems. In the present study, we report a facile, one-pot synthesis of an amino HOPO ligand and simple, scalable incorporation into PEG-acrylate based networks via active ester chemistry. This modular network approach allows for fabrication of patterned HOPO containing networks which can chelate a range of metal ions, such as transition metals (Fe<sup>3+</sup>) and lanthanides (Ho<sup>3+</sup>, Tb<sup>3+</sup>), leading to modulation of mechanical, magnetic, and fluorescent properties. Moreover, networks with tailored, heterogeneous properties can be prepared through localization of metal ion incorporation in 3-dimensions via masking techniques, creating distinctly soft, hard, magnetic, and fluorescent domains. Metal ; Chemistry ; Ligand (biochemistry) ; Combinatorial chemistry ; Nanotechnology ; Materials science ; Organic chemistry ; Biochemistry ; Receptor Lanthanide and Transition Metal Complexes ; Metal-Organic Frameworks: Synthesis and Applications ; Supramolecular Chemistry and Complexes
Authors: Sara Abuhadba | Charlotte Fuqua | Alexander Maltese | Caroline Schwinn | Neo Lin | Angela Chen | Rilee Martzloff | Tatiana V. Esipova | Tomoyasu Mani
Source: JACS Au (article, 2024-11-18)
Field: Chemistry — Organic Chemistry

Singlets-Driven Photoredox Catalysts: Transforming Noncatalytic Red Fluorophores to Efficient Catalysts Red-light absorbing photoredox catalysts offer potential advantages for large-scale reactions, expanding the range of usable substrates and facilitating bio-orthogonal applications. While many red-light absorbing/emitting fluorophores have been developed recently, functional red-light absorbing photoredox catalysts are scarce. Many photoredox catalysts rely on long-lived triplet excited states (triplets), which can efficiently engage in single electron transfer (SET) reactions with substrates. However, triplets of π-conjugated molecules are often significantly lower in energy than photogenerated singlet excited states (singlets). Combined with the inherent low energy of red light, this could limit the reductive/oxidative powers. Here, we introduce a series of sustainable heavy atom-free photoredox catalysts based on red-light absorbing dibenzo-fused BODIPY. The catalysts consist of two covalently linked units: a dibenzo-fused BODIPY fluorophore and an electron donor, arranged orthogonally. Excitation of the dibenzoBODIPY unit induces charge separation (CS) from the donor to the dibenzoBODIPY unit, forming a radical pair (RP) state. Unlike the regular BODIPY counterparts, these catalysts do not form triplets. Instead, SET occurs from the high-energy singlet-born RP states, preventing energy loss and effectively utilizing the low-energy red light. The proximity of donor molecules allows efficient charge separation despite the CS being uphill in energy. The molecules demonstrate efficient catalysis of Atom Transfer Radical Addition (ATRA) reaction, yielding products with high yields ranging from 70 to 90%, while the molecule without a donor group does not exhibit catalytic activity. The mechanistic studies by transient absorption and electron paramagnetic resonance (EPR) spectroscopy methods support the proposed mechanism. The study presents a new molecular design strategy for converting noncatalytic fluorophores to efficient photoredox catalysts operating in the red spectral region. Photoredox catalysis ; Photochemistry ; Chemistry ; BODIPY ; Fluorophore ; Catalysis ; Singlet state ; Excited state ; Molecule ; Fluorescence ; Photocatalysis ; Atomic physics ; Organic chemistry ; Physics Radical Photochemical Reactions ; Luminescence and Fluorescent Materials ; Fluorine in Organic Chemistry
Authors: Hadeel F. Abbas | Khalid K. Abbas | Ahmed Al-Ghaban
Source: Engineering and Technology Journal (article, 2024-03-18)
Field: Materials Science — Materials Chemistry

MXene (Ti C Tx) based nanosheet photocatalysts for water remediation: challenges and recent developments Two-dimensional nano structural compounds are attracting the focus of researchers worldwide. The need to treat wastewater and prevent the release of hazardous substances into the environment has increased because of growing environmental awareness. New compounds, most of which are not biodegradable, have emerged due to rising consumer expectations. Due to their distinctive chemical and physical characteristics, MXene has lately been recognized as an exciting option. The strong hydrophilicity of MXene makes them a promising candidate for environmental remediation methods like photocatalysis, natural chemical nature, and powerful electrochemistry&mdash;adsorption, membrane separation, and electrocatalytic sensors for identifying pollution. MXene has strong surface functional groups, an ion exchange property, and an extremely hydrophilic surface. The most recent developments in MXene preparation and characterization for (Ti C Tx) based nano photocatalysts for water remediation and applications are summarized in this review. Additionally, there are difficulties associated with the synthesis and application of MXene for examining and discussing pollution decontamination. This emerging field focuses on utilizing MXene materials to address water pollution issues through photocatalytic processes. Challenges in designing effective MXene-based photocatalysts are explored, including issues related to charge carrier separation, electron transfer dynamics, and optimizing catalytic efficiency. Recent developments and innovative strategies for overcoming these challenges are discussed, highlighting advancements in enhancing photocatalytic performance and improving water remediation capabilities. The synopsis aims to provide a concise overview of the current state of &nbsp;MXene-based nano photocatalysts for water treatment, offering insights into both hurdles and promising breakthroughs in this critical area of environmental research. Nanosheet ; Environmental remediation ; Photocatalysis ; Materials science ; Nanotechnology ; Environmental science ; Chemistry ; Catalysis ; Ecology ; Contamination ; Biology MXene and MAX Phase Materials ; Advanced Photocatalysis Techniques ; Nanomaterials for catalytic reactions
Authors: Rasha Shakir Mahmood | Dhiaa Hadi Hussian
Source: Indonesian Journal of Chemistry (article, 2024-06-01)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Surface Properties of Graphene and Graphene Oxide Aerogels for Energy Storage Applications This review is mainly on the relevance of graphene aerogels for energy storage systems highlighting their distinct properties and applications. Today, electronic devices such as smartphones, laptops, and other electrical appliances have become the axe of our daily lives. As a result, electrical energy is required for these devices. Despite the discovery of renewable energy sources as an alternative to fossil fuels, the construction of energy storage systems is still necessary to store energy. Lithium-ion batteries and supercapacitors are considered essential systems for this purpose and have witnessed tremendous development in recent years. The efficiency of these systems depends on the structure of the materials used in their formation. Graphene oxide and graphene aerogel materials improve the properties of energy storage systems in terms of stability of charging and discharging cycles, longevity, and reduction of combustion incidents resulting from ordinary compounds. However, the development of graphene aerogels faces challenges in improving their mechanical properties, the cost of their preparation, and their high agglomeration ability in solvents. Therefore, intensive efforts are needed to develop these materials for a new revolution in energy storage. Graphene ; Chemistry ; Oxide ; Graphene oxide paper ; Nanotechnology ; Energy storage ; Graphene foam ; Chemical engineering ; Organic chemistry ; Physics ; Quantum mechanics Supercapacitor Materials and Fabrication ; Aerogels and thermal insulation
Authors: Xiufang Chen | Qingguang Xiao | Yiguo Yang | Bo Dong | Zhengping Zhao
Source: Catalysts (article, 2024-05-27)
Field: Chemistry — Inorganic Chemistry

Constructing Polyphosphazene Microsphere-Supported Pd Nanocatalysts for Efficient Hydrogenation of Quinolines under Mild Conditions The efficient hydrogenation of N-heterocycles with H2 under mild conditions remains a significant challenge. In this work, polyphosphazene (PZs) microspheres, novel organic–inorganic hybrid materials possessing unique –P=N– structural units and a diverse range of side groups, were used to serve as support for the design of a stable and efficient Pd nanocatalyst (Pd/PZs). The PZs microspheres were prepared by self-assembly induced by precipitation polymerization, and Pd nanoparticles were grown and loaded on the support by a chemical reduction process. Several characterization techniques, including XRD, FTIR, SEM, TEM, XPS, BET and TGA, were used to study the structural features of the nanocomposites. The results revealed that Pd nanoparticles were uniformly distributed on the PZs microspheres, with primary sizes ranging from 4 to 9 nm based on the abundance of functional P/N/O groups in PZs. Remarkably high catalytic activity and stability were observed for the hydrogenation of quinoline compounds using the Pd/PZs nanocatalyst under mild conditions. Rates of 98.9% quinoline conversion and 98.5% 1,2,3,4-tetrahydroquinoline selectivity could be achieved at a low H2 pressure (1.5 bar) and temperature (40 °C). A possible reaction mechanism for quinoline hydrogenation over Pd/PZs was proposed. This work presents an innovative approach utilizing a Pd-based nanocatalyst for highly efficient multifunctional hydrogenation. Polyphosphazene ; Microsphere ; Nanomaterial-based catalyst ; Materials science ; Chemistry ; Nanotechnology ; Chemical engineering ; Organic chemistry ; Nanoparticle ; Polymer Asymmetric Hydrogenation and Catalysis ; Nanomaterials for catalytic reactions ; Catalysis for Biomass Conversion
Authors: Junnan Cui | Haobo Shu | Panpan Zhu | Zhimin Cao | Shuilin Wang | Pan Cao
Source: Journal of Functional Biomaterials (article, 2024-06-02)
Field: Materials Science — Materials Chemistry

Enhancing Antimicrobial Performance of Gauze via Modification by Ag-Loaded Polydopamine Submicron Particles Silver nanoparticles (AgNPs) are known for their antibacterial properties and their ability to promote wound healing. By incorporating silver nanoparticles into medical gauze, the resulting composite material shows promise as an advanced wound dressing. However, clinical applications are hindered by challenges related to the stability of silver nanoparticle loading on the gauze as nanoparticle leaching can compromise antibacterial efficacy. In this study, silver nanoparticles were immobilized onto polydopamine (PDA) submicron particles, which were then used to modify medical gauze. Energy dispersive spectroscopy (EDS) was employed to analyze the elemental distribution on the modified gauze, confirming successful surface modification. The antibacterial properties of the modified gauze were assessed using a laser scanning confocal microscope (CLSM). The results demonstrated a significant reduction in the adhesion rates of <i>Escherichia coli</i> (<i>E. coli</i>) and <i>Staphylococcus aureus</i> (<i>S. aureus</i>) by 99.1% and 63%, respectively, on the PDA-Ag-modified gauze. Optical density (OD) measurements at 590 nm indicated that the modified gauze effectively inhibited biofilm formation, underscoring its potent antimicrobial capabilities. Further antibacterial efficacy was evaluated by diluting and plating co-cultured bacterial solutions with the modified dressing, followed by 24 h incubation and colony counting. The gauze exhibited an antibacterial efficiency of 99.99% against <i>E. coli</i> and 99.8% against <i>S. aureus</i>. Additionally, cell compatibility tests, involving the co-culture of PDA-Ag composites with human cells, demonstrated excellent biocompatibility. These findings suggest that PDA-Ag-modified medical gauze holds significant potential for the treatment of infected wounds, offering a promising solution to improve wound care through enhanced antimicrobial activity and biocompatibility. Materials science ; Silver nanoparticle ; Biocompatibility ; Antimicrobial ; Surface modification ; Antibacterial activity ; Nanoparticle ; Staphylococcus aureus ; Nuclear chemistry ; Biofilm ; Biomedical engineering ; Nanotechnology ; Chemical engineering ; Chemistry ; Bacteria ; Medicine ; Metallurgy ; Organic chemistry Nanoparticles: synthesis and applications ; Wound Healing and Treatments ; Antimicrobial agents and applications
Authors: C. M. Kavitha | K.M. Eshwarappa | Shivakumar Jagadish Shetty | S. C. Gurumurthy | Srivathsava Surabhi | T. Niranjana Prabhu | Jong‐Ryul Jeong | Daniela V. Morales
Source: Discover Nano (article, 2024-02-22)
Field: Materials Science — Polymers and Plastics

Modification of thermal and electrical characteristics of hybrid polymer nanocomposites through gamma irradiation for advanced applications In this article, we present a straightforward in-situ approach for producing Ag NPs incorporated in graphene oxide (GO) blended with glutaraldehyde (GA) cross-linked polyvinyl alcohol (PVA) matrix. Samples are γ-irradiated by doses of 2, 5, and 10 kGy and in comparison with the pristine films, the thermal conductivity ('k') and effusivity are measured. 'k' decreases with irradiation doses up to 5 kGy and further increase in the dosage results increase in 'k'. We performed FDTD modeling to verify the effect of polarization and periodicity on the absorptivity and emissivity spectra that are correlated to the 'k' and effusivity, empirically. Hence, we can confess that the structural properties of the prepared hybrid nanocomposite are manipulated by γ-irradiation. This attests that the PVA/GO-Ag/GA nanocomposite is radiation-sensitive and could be employed for thermal management systems. Moreover, their strong electrical insulation, as the measured dc conductivity of the γ-irradiated samples is found to be in the range of 2.66 × 10<sup>-8</sup>-4.319 × 10<sup>-7</sup> Sm<sup>-1</sup>, which is below the percolation threshold of 1.0 × 10<sup>-6</sup> Sm<sup>-1</sup>, demonstrates that they are excellent candidates for the use of thermal management materials. The low 'k' values allow us to use this promising material as thermal insulating substrates in microsensors and microsystems. They are also great choices for usage as wire and cable insulation in nuclear reactors due to their superior electrical insulation. Materials science ; Nanocomposite ; Irradiation ; Thermal effusivity ; Composite material ; Kapton ; Thermal conductivity ; Polymer ; Thermal ; Thermal resistance ; Polyimide ; Thermal contact conductance Polymer Nanocomposite Synthesis and Irradiation ; Dielectric materials and actuators ; Thermal properties of materials
Authors: Carlotta Seno | Nico Reichholf | Francesco Salutari | María Chiara Spadaro | Yurii P. Ivanov | Giorgio Divitini | Alexander Gogos | Inge K. Herrmann | Jordi Arbiol | Philippe F. Smet | Jonathan De Roo
Source: ChemRxiv (preprint, 2024-04-11)
Field: Materials Science — Materials Chemistry

Epitaxial Core/Shell Nanocrystals of (Europium-Doped) zirconia and hafnia A careful design of nanocrystal architecture can strongly enhance the nanocrystal function. So far, this strategy faced a synthetic bottleneck in the case of refractory oxides. Here, we demonstrate the epitaxial growth of hafnia shells onto zirconia cores, and pure zirconia shells onto europium doped zirconia cores. The core/shell structures are fully crystalline. Upon shelling, the optical properties of the europium dopant are dramatically improved (featuring a more uniform coordination and a longer photoluminescence lifetime), indicating the suppression of non-radiative pathways. These results launch the stable zirconium and hafnium oxide hosts as alternatives for the established NaYF4 systems. Cubic zirconia ; Europium ; Hafnia ; Materials science ; Dopant ; Nanocrystal ; Photoluminescence ; Zirconium ; Doping ; Epitaxy ; Nanotechnology ; Luminescence ; Chemical engineering ; Optoelectronics ; Metallurgy Luminescence Properties of Advanced Materials ; Inorganic Fluorides and Related Compounds ; Inorganic Chemistry and Materials