jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Ling‐Yu Chang | Mia Rinawati | Yiting Guo | Yu-Chi Lin | Chia-Yu Chang | Wei‐Nien Su | Hitoshi Mizuguchi | Wei‐Hsiang Huang | Jeng‐Lung Chen | Min‐Hsin Yeh
Source: ACS Applied Nano Materials (article, 2024-06-06)
Field: Materials Science — Materials Chemistry

Nitrogen-Doped Graphene Quantum Dots Incorporated into MOF-Derived NiCo Layered Double Hydroxides for Nonenzymatic Lactate Detection in Noninvasive Biosensors Rapid interest in identifying specific biomarkers has been sparked by the development of wearable electrochemical sensors for physiological and biological monitoring via noninvasive measurement. During anaerobic metabolic circumstances, monitoring the lactate content become critical for noninvasive diagnostic of hypoxia. To improve the sensitivity of wearable sweat biosensors for detecting lactate concentrations, in this study, metal–organic framework (MOF)-derived NiCo-based layered double hydroxides (m-NiCo LDHs) with N-doped graphene quantum dots (NGQDs) decoration are designed. According to the X-ray absorption spectroscopy (XAS) analysis, the incorporation of NGQDs will alter the local electronic structure of transition metals in m-NiCo LDHs, thereby reducing the charge transfer resistance and accelerating the electron transfer kinetics during electrochemical reactions of lactate detection. After understanding the role of NGQDs in the matrix of m-NiCo LDHs, as-designed NGQD/m-NiCo LDH-based electrochemical biosensors for lactate detection displayed superior sensitivity of 62.63 ± 1.50 μA mM–1 cm–2 under an applied potential of 0.60 V (vs Ag/AgCl/3 M KCl) with the lactate concentration range of 0 to 15 mM in alkaline condition, compared to pristine NiCo LDH (16.77 ± 1.70 μA mM–1 cm–2)- and m-NiCo LDH (45.45 ± 4.39 μA mM–1 cm–2)-based ones. This research provides a potential electrocatalyst of GQD-modified MOF-derived LDHs for using enzyme-free electrochemical lactate sensors with reliable and stable performance in order to implement noninvasive human perspiration monitoring on wearable bioelectronics. Graphene ; Layered double hydroxides ; Quantum dot ; Biosensor ; Nanotechnology ; Materials science ; Doping ; Chemistry ; Inorganic chemistry ; Optoelectronics Carbon and Quantum Dots Applications ; Electrochemical sensors and biosensors ; Advanced Nanomaterials in Catalysis
Authors: Sangita Sahoo | Subarna Manna | Arnab Rit
Source: Chemical Science (article, 2024-01-01)
Field: Chemistry — Organic Chemistry

Unravelling a bench-stable zinc-amide compound as highly active multitasking catalyst for radical-mediated selective alk(en)ylation of unactivated carbocycles under mild conditions The direct functionalization of unactivated organic moieties <i>via</i> C-C bond formation has long fascinated synthetic chemists. Although base-metal systems are steadily emerging in this area, achieving multitasking activity in a single catalyst to execute several such functionalizations under mild conditions is challenging. To address this, we herein report an effective protocol for the selective C-alk(en)ylation of indene/fluorene with alcohol as a green alkylating agent employing a naturally abundant and eco-friendly zinc-derived compound, for the first time. Notably, this study unveils the unique potential of a bench-stable Zn compound bearing an amidated imidazolium salt towards C-C bond-forming reactions utilizing an array of alcohols, ranging from aliphatic to aromatic and, attractively, even secondary alcohols. Moreover, this readily scalable protocol, which proceeds <i>via</i> an underdeveloped radical-mediated borrowing hydrogen protocol (an aldehyde is generated from an alcohol, and subsequent condensation with indene/fluorene provides the corresponding alkenylated products) established based on a range of control experiments, works effortlessly under mild conditions using a low catalyst loading. Notably, this approach affords remarkable selectivity towards alkylated or alkenylated products with a high level of functional group tolerance and chemoselectivity. Crucially, the catalytic activity of these Zn compounds can be attributed to their hydrogen atom transfer (HAT) capability, while their selectivity towards different products can be understood in terms of employed reaction conditions. Lastly, the synthetic utility of obtained products was showcased by their late-stage functionalization to access unsymmetrical 9,9-disubstituted fluorenes, which are potentially useful for various optoelectronic applications. Human multitasking ; Amide ; Chemistry ; Catalysis ; Ligand (biochemistry) ; Zinc ; Combinatorial chemistry ; Organic chemistry ; Receptor ; Biochemistry ; Psychology Catalytic C–H Functionalization Methods ; Asymmetric Hydrogenation and Catalysis ; Catalytic Cross-Coupling Reactions
Authors: D.M. Ibrahim | A.A. Gaber | A. E. Reda | D. A. Abdel Aziz | N. A. Ajiba
Source: Journal of Sol-Gel Science and Technology (article, 2024-09-27)
Field: Materials Science — Materials Chemistry

Structural, optical, and dielectric properties of sol-gel derived perovskite ZnSnO3 nanomaterials Abstract Zinc stannate (ZnSnO 3 ) ceramic nanoparticles were synthesized via a sol-gel polymeric technique utilizing polyacrylic acid as a template polymer. The effect of pH during the synthesis process was investigated by preparing the ZnSnO 3 nanoparticles at pH 3 and 8. The structural, molecular, morphological, optical, and dielectric properties of the synthesized ZnSnO 3 nanoparticles were thoroughly characterized using FTIR, XRD, SEM, and TEM, with optical and dielectric measurements. FTIR and XRD analyses confirmed the phase purity of the synthesized ZnSnO 3 nanoparticles, which exhibited an orthorhombic perovskite crystal structure. As observed in the SEM and TEM images, the ZnSnO 3 nanoparticles prepared at pH 8 displayed a more defined cubic crystalline morphology, with an average particle size of 128 nm. The optical properties of the ZnSnO 3 nanoparticles showed a high absorption edge in the UV region for both pH conditions. The calculated bandgap energies were 3.67 eV for pH 3 and 3.57 eV for pH 8. The dielectric properties at pH 3 and 8 exhibited a low dielectric constant (ε′ = 4 and 5, respectively) and very low dielectric loss (tan δ = 0.1 and 0.06, respectively) at 1 MHz. These exceptional optical and dielectric properties make the prepared ZnSnO 3 nanoparticles a promising material for various applications. Graphical Abstract Nanomaterials ; Perovskite (structure) ; Dielectric ; Materials science ; Sol-gel ; Nanotechnology ; Chemical engineering ; Optoelectronics ; Chemistry ; Crystallography ZnO doping and properties ; Gas Sensing Nanomaterials and Sensors ; Perovskite Materials and Applications
Authors: Yuvrajsinh B. Rajput | Ahmed S. Al‐Fatesh | Ahmed I. Osman | Mohammed O. Bayazed | Ahmed A. Ibrahim | Anis H. Fakeeha | Ahmed E. Abasaeed | Fahad S. Al‐Mubaddel | Othman Alothman | Rawesh Kumar
Source: Fuel (article, 2024-08-22)
Field: Materials Science — Materials Chemistry

Enhancing hydrogen production via dry reforming of methane: Optimization of Co and Ni on scandia-ceria-zirconia supports for catalytic efficiency and economic feasibility The Novel “Scandia-ceria incorporated zirconia” (10ScCeZr) is a well-recognized material in ceramic and solid oxide electrolytes due to stable phases (like cubic ZrO2) and oxide conducting phases (like hexagonal Sc4Zr3O12 phases). The objective of the current study is to introduce 10ScCeZr as support for bearing a proportional ratio of active sites (Ni and Co), investigating catalytic performance in DRM and studying the economic viability with respect to other catalysts. The 10ScCeZr support is used first time where the concentration of ceria is minimal to minimize the risk of oxidation of active sites but achieve the benefit of mobile lattice oxygen along with scandia and zirconia. Upon dispersion of different proportions of Ni and Co over 10ScCeZr, the reducibility pattern, stability of active sites, stability of oxide vacancy, and type of carbon deposit are modified markedly. Upon using 3: 1 Ni and Co over 10ScCeZr, the crystallinity of the catalyst is minimal, and the total concentration of active site and stable active sites doesn’t fluctuate more than 5Ni/10ScCeZr, and active sites are majorly derived by NiO. During the DRM, less inert carbon is deposited over the catalyst (than 5Ni/10ScCeZr). These physiochemical modifications over 3.75Ni1.25Co/10ScCeZr result in the highest 45 % H2 yield at 700 °C and 79 % H2 yield at 800 °C at the end of 300 min. The significant high operational savings due to the 0.44 % increased H2-yield validate the long-term financial benefits upon industrialization of the current catalyst. Now, this catalyst is open for further investigation on promotors’ effect and process optimization for developing a high-performance catalyst with excellent savings in H2-production through DRM. Materials science ; Catalysis ; Chemical engineering ; Hydrogen production ; Crystallinity ; Oxide ; Cubic zirconia ; Methane ; Non-blocking I/O ; Carbon dioxide reforming ; Hydrogen ; Ceramic ; Chemistry ; Metallurgy ; Syngas ; Composite material ; Organic chemistry Catalytic Processes in Materials Science ; Catalysts for Methane Reforming ; Catalysis and Oxidation Reactions
Authors: Emilie Werner | Milena Wiegand | Joseph Moran | David Lebœuf
Source: Organic Letters (article, 2024-01-08)
Field: Chemistry — Organic Chemistry

Rapid Access to Densely Functionalized Cyclopentenyl Sulfoximines through a Sc-Catalyzed Aza-Piancatelli Reaction Sulfoximines make up a class of compounds of growing interest for crop science and medicinal chemistry, but methods for directly incorporating them into complex molecular scaffolds are lacking. Here we report a scandium-catalyzed variant of the aza-Piancatelli cyclization that can directly incorporate sulfoximines as nucleophiles rather than the classical aniline substrates. Starting from 2-furylcarbinols and sulfoximines, the reaction provides direct access to 4-sulfoximinocyclopentenones, a new scaffold bearing cyclopentenone and sulfoximine motifs, both of interest for bioactive compounds. Chemistry ; Nucleophile ; Aniline ; Scandium ; Combinatorial chemistry ; Catalysis ; Scaffold ; Cyclopentenone ; Organic chemistry ; Computer science Synthesis and Catalytic Reactions ; Catalytic C–H Functionalization Methods ; Sulfur-Based Synthesis Techniques
Authors: Vladimir Lysenko | Halyna Kuznietsova | Natalia Dziubenko | Iryna Byelinska | Alexander N. Zaderko | Tetiana Lysenko | V. A. Skryshevsky
Source: BioNanoScience (review, 2024-05-07)
Field: Materials Science — Materials Chemistry

Application of Carbon Dots as Antibacterial Agents: A Mini Review Photothermal therapy ; Photothermal effect ; Chemistry ; Nanotechnology ; Biomolecule ; Membrane ; DNA ; Antibacterial activity ; Carbon nanotube ; Singlet oxygen ; Photoluminescence ; Bacterial cell structure ; Bacteria ; Biophysics ; Materials science ; Oxygen ; Organic chemistry ; Biochemistry ; Optoelectronics Carbon and Quantum Dots Applications ; Nanocluster Synthesis and Applications ; Quantum Dots Synthesis And Properties
Authors: Emma Martinaud | Carmen Hierro-Iglesias | James Hammerton | Bawan Hadad | Robert Evans | Jakub Sacharczuk | Daniel W. Lester | Matthew J. Derry | Paul D. Topham | Alfred Fernández‐Castané
Source: Journal of Polymers and the Environment (article, 2024-01-27)
Field: Materials Science — Biomaterials

Valorising Cassava Peel Waste Into Plasticized Polyhydroxyalkanoates Blended with Polycaprolactone with Controllable Thermal and Mechanical Properties The online version contains supplementary material available at 10.1007/s10924-023-03167-4. Polyhydroxyalkanoates ; Polycaprolactone ; Materials science ; Bioplastic ; Composite material ; Thermal ; Polyhydroxybutyrate ; Biodegradation ; Environmentally friendly ; Poly-3-hydroxybutyrate ; Waste management ; Polymer science ; Chemical engineering ; Organic chemistry ; Polymer biodegradable polymer synthesis and properties ; Electrospun Nanofibers in Biomedical Applications ; Microplastics and Plastic Pollution
Authors: Kazuki Miwa | Tomoya Yokota | Qian Wang | Takahiro Sakurai | Heike Fliegl | Dage Sundholm | Hiroshi Shinokubo
Source: Journal of the American Chemical Society (article, 2024-01-03)
Field: Materials Science — Materials Chemistry

Metallaantiaromaticity of 10-Platinacorrole Complexes The aromaticity of cyclic π-conjugated organometallic compounds is known as metallaaromaticity. π-Conjugated metallacycles, such as metallabenzenes and metallapentalenes, have been investigated in order to understand the involvement of the d electrons from the metal center in the π-conjugated systems of the organic ligands. Here, we report the synthesis of Pd(II) 10-platinacorrole complexes with cyclooctadiene (COD) and norbornadiene (NBD) ligands. While the Pd(II) 10-platinacorrole COD complex adopts a distorted structure without showing appreciable antiaromaticity, the corresponding NBD complex exhibits a distinct antiaromatic character due to its highly planar conformation. Detailed density functional theory (DFT) calculations revealed that two d orbitals are involved in macrocyclic π-conjugation. We furthermore demonstrated that Craig-Möbius antiaromaticity is not present in the studied system. The synthesis of 10-platinacorroles enables a systematic comparison of the antiaromaticity and aromaticity of closely related porphyrin analogues, providing a better understanding of π-conjugation that involves d orbitals. Chemistry Porphyrin and Phthalocyanine Chemistry ; Luminescence and Fluorescent Materials ; Photochromic and Fluorescence Chemistry
Authors: Madina M. Sozarukova | T. O. Kozlova | Tatiana S. Beshkareva | Anton L. Popov | Danil D. Kolmanovich | Darya A. Vinnik | О. С. Иванова | A. V. Lukashin | А. Е. Баранчиков | В. К. Иванов
Source: Nanomaterials (article, 2024-04-26)
Field: Materials Science — Materials Chemistry

Gadolinium Doping Modulates the Enzyme-like Activity and Radical-Scavenging Properties of CeO2 Nanoparticles Their unique physicochemical properties and multi-enzymatic activity make CeO<sub>2</sub> nanoparticles (CeO<sub>2</sub> NPs) the most promising active component of the next generation of theranostic drugs. When doped with gadolinium ions, CeO<sub>2</sub> NPs constitute a new type of contrast agent for magnetic resonance imaging, possessing improved biocatalytic properties and a high level of biocompatibility. The present study is focused on an in-depth analysis of the enzyme-like properties of gadolinium-doped CeO<sub>2</sub> NPs (CeO<sub>2</sub>:Gd NPs) and their antioxidant activity against superoxide anion radicals, hydrogen peroxide, and alkylperoxyl radicals. Using an anion-exchange method, CeO<sub>2</sub>:Gd NPs (~5 nm) with various Gd-doping levels (10 mol.% or 20 mol.%) were synthesized. The radical-scavenging properties and biomimetic activities (namely SOD- and peroxidase-like activities) of CeO<sub>2</sub>:Gd NPs were assessed using a chemiluminescent method with selective chemical probes: luminol, lucigenin, and L-012 (a highly sensitive luminol analogue). In particular, gadolinium doping has been shown to enhance the radical-scavenging properties of CeO<sub>2</sub> NPs. Unexpectedly, both bare CeO<sub>2</sub> NPs and CeO<sub>2</sub>:Gd NPs did not exhibit SOD-like activity, acting as pro-oxidants and contributing to the generation of reactive oxygen species. Gadolinium doping caused an increase in the pro-oxidant properties of nanoscale CeO<sub>2</sub>. At the same time, CeO<sub>2</sub>:Gd NPs did not significantly inhibit the intrinsic activity of the natural enzyme superoxide dismutase, and CeO<sub>2</sub>:Gd NPs conjugated with SOD demonstrated SOD-like activity. In contrast to SOD-like properties, peroxidase-like activity was observed for both bare CeO<sub>2</sub> NPs and CeO<sub>2</sub>:Gd NPs. This type of enzyme-like activity was found to be pH-dependent. In a neutral medium (pH = 7.4), nanoscale CeO<sub>2</sub> acted as a prooxidant enzyme (peroxidase), while in an alkaline medium (pH = 8.6), it lost its catalytic properties; thus, it cannot be regarded as a nanozyme. Both gadolinium doping and conjugation with a natural enzyme were shown to modulate the interaction of CeO<sub>2</sub> NPs with the key components of redox homeostasis. Gadolinium ; Chemistry ; Radical ; Superoxide ; Reactive oxygen species ; Nanoparticle ; Hydrogen peroxide ; Luminol ; Antioxidant ; Superoxide dismutase ; Biocompatibility ; Hydroxyl radical ; Nuclear chemistry ; Photochemistry ; Enzyme ; Materials science ; Organic chemistry ; Nanotechnology ; Biochemistry Advanced Nanomaterials in Catalysis ; Electrochemical sensors and biosensors ; Nanoparticles: synthesis and applications
Authors: Hugo G. Palhares | Pedro H. M. Andrade | Alain Moissette | Christophe Volkringer | Thierry Loiseau | Manuel Houmard | Eduardo H.M. Nunes
Source: Microporous and Mesoporous Materials (article, 2024-01-22)
Field: Chemistry — Inorganic Chemistry

Simultaneous adsorption of anionic and cationic species on UiO-66 and MIL-125 MOFs: Mechanisms &amp; selectivity Cationic polymerization ; Adsorption ; Molecule ; Metal-organic framework ; Linker ; Chemistry ; Surface modification ; Surface charge ; Zeta potential ; Selective adsorption ; Inorganic chemistry ; Sulfonic acid ; Selectivity ; Combinatorial chemistry ; Chemical engineering ; Polymer chemistry ; Materials science ; Organic chemistry ; Physical chemistry ; Nanotechnology ; Catalysis Metal-Organic Frameworks: Synthesis and Applications ; Adsorption and biosorption for pollutant removal ; X-ray Diffraction in Crystallography
Authors: Hong‐Cheng Shen | Ze‐Shu Wang | Adam Noble | Varinder K. Aggarwal
Source: Journal of the American Chemical Society (article, 2024-05-09)
Field: Chemistry — Organic Chemistry

Simultaneous Stereoinvertive and Stereoselective C(sp<sup>3</sup>)–C(sp<sup>3</sup>) Cross-Coupling of Boronic Esters and Allylic Carbonates With increasing interest in constructing more three-dimensional entities, there has been growing interest in cross-coupling reactions that forge C(sp<sup>3</sup>)-C(sp<sup>3</sup>) bonds, which leads to additional challenges as it is not just a more difficult bond to construct but issues of stereocontrol also arise. Herein, we report the stereocontrolled cross-coupling of enantioenriched boronic esters with racemic allylic carbonates enabled by iridium catalysis, leading to the formation of C(sp<sup>3</sup>)-C(sp<sup>3</sup>) bonds with single or vicinal stereogenic centers. The method shows broad substrate scope, enabling primary, secondary, and even tertiary boronic esters to be employed, and can be used to prepare any of the four possible stereoisomers of a coupled product with vicinal chiral centers. The new method, which combines the simultaneous enantiospecific reaction of a chiral nucleophile with the enantioselective reaction of a chiral electrophile in a single process, offers a solution for stereodivergent cross-coupling of two C(sp<sup>3</sup>) fragments. Chemistry ; Stereocenter ; Vicinal ; Enantioselective synthesis ; Allylic rearrangement ; Nucleophile ; Electrophile ; Stereoselectivity ; Combinatorial chemistry ; Stereochemistry ; Coupling reaction ; Catalysis ; Organic chemistry Organoboron and organosilicon chemistry ; Catalytic Cross-Coupling Reactions ; Synthetic Organic Chemistry Methods
Authors: Suna Azhdari | Jürgen Linders | Deniz Coban | Tim Julian Stank | Carina Dargel | Hubert Gojżewski | Thomas Hellweg | André H. Gröschel | Frederik R. Wurm
Source: Advanced Materials (article, 2024-07-28)
Field: Materials Science — Surfaces, Coatings and Films

Fully Degradable Polyphosphoester Cubosomes for Sustainable Agrochemical Delivery Microplastic pollution and the urgent need for sustainable agriculture have raised interest in developing degradable carriers for controlled agrochemical release. Porous polymeric particles are particularly promising due to their unique release profiles compared to solid or core-shell carriers. However, creating degradable, mesoporous (2-50 nm) microparticles is challenging, and their potential for agrochemical delivery is largely unexplored. A straightforward self-assembly method is demonstrated for fully degradable porous polymer cubosomes (PCs), showcasing their ability to load and release agrochemicals. Using fully degradable block copolymers (BCPs), poly(ethyl ethylene phosphate)-b-polylactide (PEEP-b-PLA), PCs are synthesized in water with high inner order and open pores averaging 19 ± 3 nm in diameter. During the self-assembly process in the presence of the hydrophobic fungicide tebuconazole, polymersomes transform into PCs by enriching the hydrophobic polymer domain and altering the BCP packing parameter. After self-assemby, highly porous and fungicide-loaded PCs are obtained. Fungicide-loaded PCs show high antimycotic activity against Botrytis cinerea (grey mold), adhere to Vitis vinifera Riesling leaves even after simulated rain, and release the fungicide continuously over several days with different release-kinetics compared to solid particles. PCs hydrolyze completely into lactic acid and phosphate derivatives, highlighting their potential as microplastic-free agrochemical delivery systems for sustainable agriculture. Agrochemical ; Materials science ; Polymer ; Fungicide ; Botrytis cinerea ; Tebuconazole ; Drug delivery ; Chemical engineering ; Nanotechnology ; Agriculture ; Composite material ; Botany Polymer Surface Interaction Studies ; Advanced Polymer Synthesis and Characterization ; Dendrimers and Hyperbranched Polymers
Authors: Easha Fatima | Iqra Arooj | Mehvish Javeed | Jian Yin
Source: Discover Nano (article, 2024-04-16)
Field: Materials Science — Materials Chemistry

Green synthesis, characterization and applications of Phyllanthus emblica fruit extract mediated chromium oxide nanoparticles The green synthesis of metallic nanoparticles is attributable towards diverse applications in various fields, recently. In this research, we report simple and eco-friendly synthesis of chromium oxide (Cr<sub>2</sub>O<sub>3</sub>) nanoparticles using the fruit extract of Phyllanthus emblica as a reducing and capping agent. The absorbance peaks at 350 nm and 450 nm validated the nanoparticle formation in UV-visible spectrum. FTIR spectrum revealed the nature of functional groups. The crystalline properties of nanoparticles were ascertained by XRD analysis. EDX spectrum corroborated the elemental composition of nanoparticles in which chromium and oxygen constituted 68% of total weight. SEM images demonstrated agglomeration of nanoparticles resulting in the formation of large irregularly shaped flakes. Cr<sub>2</sub>O<sub>3</sub> nanoparticles demonstrated excellent antimicrobial properties against 11 bacterial isolates and 1 fungal isolate. The largest inhibition zone (53 mm) was measured against A. baumannii while the smallest inhibition zone (26 mm) was recorded against S. aureus. Minimum inhibitory concentration (MIC) values were < 1 µg/ml for all microbes. However, the synthesized nanoparticles did not reveal synergism with any of the selected antibiotics (FICI values > 1). Nanoparticles possessed potent anti-biofilm powers with maximum (77%) inhibition of E. coli biofilms and minimum (45%) inhibition of S. enterica biofilms. Photocatalytic activity of Cr<sub>2</sub>O<sub>3</sub> nanoparticles was evaluated to determine their efficacy in environmental bioremediation. Outcomes demonstrated degradation of methyl red (84%) but not of methylene blue dye. Furthermore, the Cr<sub>2</sub>O<sub>3</sub> nanoparticles displayed considerable antioxidant (43%) as well as anti-inflammatory (44%) potentials. Hence, the present study accounts for the versatile applications of P. emblica-mediated Cr<sub>2</sub>O<sub>3</sub> nanoparticles which could be pursued for future biomedical and environmental applications. Nuclear chemistry ; Nanoparticle ; Absorbance ; Phyllanthus emblica ; Chromium ; Chemistry ; Phyllanthus ; Photocatalysis ; Bioremediation ; Agar diffusion test ; Materials science ; Nanotechnology ; Bacteria ; Organic chemistry ; Chromatography ; Biochemistry ; Botany ; Escherichia coli ; Catalysis ; Biology Nanoparticles: synthesis and applications ; Pigment Synthesis and Properties ; Laser-Ablation Synthesis of Nanoparticles