jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Chunzheng Wang | Xianchao Li | Shicheng Yuan | Li Sun | Peng Bai | Lixia Ling | Hailing Guo | Svetlana Mintova
Source: Catalysis Reviews (article, 2024-02-29)
Field: Materials Science — Materials Chemistry

Oxidative coupling of carbon monoxide to dimethyl oxalate: catalysts design, reaction mechanism and process intensification International audience Catalysis ; Carbon monoxide ; Oxidative coupling of methane ; Methanol ; Chemistry ; Oxalate ; Monoxide ; Reaction mechanism ; Inorganic chemistry ; Organic chemistry Catalytic Processes in Materials Science ; Catalysis and Oxidation Reactions ; Catalysts for Methane Reforming
Authors: Nasser B. Alsaleh | Anas Mohammed Aljarbou | Mohamed E. Assal | Mohammed A. Assiri | Mohammed M. Almutairi | Homood M. As Sobeai | Ali A. Alshamrani | Sultan Almudimeegh | Mohammad Rafe Hatshan | Syed Farooq Adil
Source: Pharmaceuticals (article, 2024-01-29)
Field: Materials Science — Materials Chemistry

Synthesis, Characterization, and Toxicity Assessment of Zinc Oxide-Doped Manganese Oxide Nanoparticles in a Macrophage Model The doping of engineered nanomaterials (ENMs) is a key tool for manipulating the properties of ENMs (e.g., electromagnetic, optical, etc.) for different therapeutic applications. However, adverse health outcomes and the cellular biointeraction of doped ENMs, compared to undoped counterparts, are not fully understood. Previously, we have shown that doping manganese oxide nanoparticles with ZnO (ZnO-MnO<sub>2</sub> NPs) improved their catalytic properties. In this study, we assessed the toxicity of ZnO-MnO<sub>2</sub> NPs in Raw 264.7 cells. NPs were prepared via an eco-friendly, co-precipitation method and characterized by several techniques, including transmission and scanning electron microscopy, X-ray diffraction, and Fourier transform infrared. The physicochemical properties of ZnO-MnO<sub>2</sub> NPs, including size, morphology, and crystalline structure, were almost identical to MnO<sub>2</sub> NPs. However, ZnO-MnO<sub>2</sub> NPs showed slightly larger particle aggregates and negative charge in cell culture media. Exposure to ZnO-MnO<sub>2</sub> NPs resulted in lower toxicity based on the cell viability and functional assay (phagocytosis) data. Exposure to both NPs resulted in the activation of the cell inflammatory response and the generation of reactive oxygen species (ROS). Despite this, exposure to ZnO-MnO<sub>2</sub> NPs was associated with a lower toxicity profile, and it resulted in a higher ROS burst and the activation of the cell antioxidant system, hence indicating that MnO<sub>2</sub> NP-induced toxicity is potentially mediated via other ROS-independent pathways. Furthermore, the cellular internalization of ZnO-MnO<sub>2</sub> NPs was lower compared to MnO<sub>2</sub> NPs, and this could explain the lower extent of toxicity of ZnO-MnO<sub>2</sub> NPs and suggests Zn-driven ROS generation. Together, the findings of this report suggest that ZnO (1%) doping impacts cellular biointeraction and the consequent toxicological outcomes of MnO<sub>2</sub> NPs in Raw 264.7 cells. Nanomaterials ; Nanoparticle ; Reactive oxygen species ; Toxicity ; Zinc ; Chemistry ; Manganese ; Materials science ; Nanotechnology ; Biochemistry ; Organic chemistry Nanoparticles: synthesis and applications ; Graphene and Nanomaterials Applications ; Advanced Nanomaterials in Catalysis
Authors: Dandan Kang | Li Y | Xiaowen Dai | Zixiong Li | Kai Cheng | Wenliang Song | Deng‐Guang Yu
Source: Molecules (article, 2024-11-19)
Field: Materials Science — Biomaterials

A Soothing Lavender-Scented Electrospun Fibrous Eye Mask Electrospinning technology has demonstrated extensive applications in biomedical engineering, energy storage, and environmental remediation. However, its utilization in the cosmetic industry remains relatively underexplored. To address the challenges associated with skin damage caused by preservatives and thickeners used for extending the shelf life of conventional products, a soothing lavender-scented electrospun fibrous eye mask with coaxial layers was developed using the electrospinning technique. Polyvinyl alcohol (PVA) served as the hydrophilic outer sheath, while polycaprolactone (PCL) constituted the hydrophobic core, with lavender oil (LO) encapsulated within. The structural and physicochemical properties of the samples were characterized using a scanning electron microscope (SEM), Fourier transform infrared spectroscopy (FT-IR), and contact angle measurements. Upon hydration, the fibrous membrane exhibited strong adhesion properties, notable antioxidant activity, and a degree of antibacterial efficacy, demonstrating its potential for safe and effective use in skincare and eye mask applications. These findings suggest that the developed electrospun material offers promising functional properties and functional properties for integration into cosmetic formulations. Electrospinning ; Polycaprolactone ; Contact angle ; Materials science ; Polyvinyl alcohol ; Scanning electron microscope ; Fourier transform infrared spectroscopy ; Nanotechnology ; Chemical engineering ; Composite material ; Biomedical engineering ; Polymer Electrospun Nanofibers in Biomedical Applications ; Advanced Sensor and Energy Harvesting Materials ; Silk-based biomaterials and applications
Authors: Chaofan Chen | Glenn Quek | Hongjun Liu | Lars J. Bannenberg | Ruipeng Li | Jaehoon Choi | Dingding Ren | Ricardo Javier Vázquez | Bart Boshuizen | Bjørn‐Ove Fimland | Simon Fleischmann | Marnix Wagemaker | De‐en Jiang | Guillermo C. Bazan | Xuehang Wang
Source: Advanced Energy Materials (article, 2024-09-03)
Field: Materials Science — Materials Chemistry

High‐Rate Polymeric Redox in MXene‐Based Superlattice‐Like Heterostructure for Ammonium Ion Storage Abstract Achieving both high redox activity and rapid ion transport is a critical and pervasive challenge in electrochemical energy storage applications. This challenge is significantly magnified when using large‐sized charge carriers, such as the sustainable ammonium ion (NH 4 + ). A self‐assembled MXene/n‐type conjugated polyelectrolyte (CPE) superlattice‐like heterostructure that enables redox‐active, fast, and reversible ammonium storage is reported. The superlattice‐like structure persists as the CPE:MXene ratio increases, accompanied by a linear increase in the interlayer spacing of MXene flakes and a greater overlap of CPEs. Concurrently, the redox activity per unit of CPE unexpectedly intensifies, a phenomenon that can be explained by the enhanced de‐solvation of ammonium due to the increased volume of 3 Å‐sized pores, as indicated by molecular dynamic simulations. At the maximum CPE mass loading (MXene:CPE ratio = 2:1), the heterostructure demonstrates the strongest polymeric redox activity with a high ammonium storage capacity of 126.1 C g −1 and a superior rate capability at 10 A g −1 . This work unveils an effective strategy for designing tunable superlattice‐like heterostructures to enhance redox activity and achieve rapid charge transfer for ions beyond lithium. Redox ; Materials science ; Heterojunction ; Superlattice ; Electrochemistry ; Ion ; Ammonium ; Chemical engineering ; Energy storage ; Nanotechnology ; Optoelectronics ; Electrode ; Physical chemistry ; Chemistry ; Organic chemistry MXene and MAX Phase Materials ; Supercapacitor Materials and Fabrication ; Covalent Organic Framework Applications
Authors: Chinnasamy Ragavendran | Chinnaperumal Kamaraj | Devarajan Natarajan | Khalid A. Al‐Ghanim | M. Magesh | Marcello Nicoletti | Marimuthu Govindarajan
Source: Green Processing and Synthesis (article, 2024-01-01)
Field: Materials Science — Materials Chemistry

Synthesis of <i>Lawsonia inermis</i> -encased silver–copper bimetallic nanoparticles with antioxidant, antibacterial, and cytotoxic activity Abstract The extract of the medicinal plant Lawsonia inermis , known as henna, was employed to synthesize silver–copper bimetallic nanoparticles (Ag–Cu NPs) in a unique, efficient, and cost-effective method. The shape, size, and structural features of synthesized Ag–Cu NPs were determined by ultra–visible spectroscopy, Fourier transform infrared spectroscopy, X-ray diffractometer, field emission scanning electron microscopy, transmission electron microscopy, and energy dispersive X-ray spectroscopy methods. The rod-shaped Ag–Cu nanoparticles, averaging 41.66 ± 17.18 nm in size, synthesized from L. inermis , exhibited potent antioxidant activity by inhibiting 2,2-diphenyl-1-picrylhydrazyl and 2,2′-azinobis (3-ethylbenzothiazoline-6-sulfonic acid) free radicals. They also displayed significant antibacterial effects against Pseudomonas aeruginosa (28 mm), Staphylococcus aureus (27 mm), Bacillus cereus (26 mm), and Escherichia coli (24 mm). Additionally, these nanoparticles induced notable morphological changes in cancer cells and demonstrated promising cytotoxicity against MDA-MB-231 tumor cells (IC 50 = 37.40 µg·mL −1 ). However, they exhibited biotoxicity in Artemia nauplii , resulting in mortality rates ranging from 3.0% to 32.5%. The LC 50 and LC 90 values recorded for a 48-h exposure were 1.51 mg·L −1 and 2.59 mg·L −1 , respectively. These findings highlight the potential application of L. inermis -derived Ag–Cu NPs in pharmacology and bio-nanomedicine. Lawsonia inermis ; Bimetallic strip ; Copper ; Antibacterial activity ; Cytotoxic T cell ; Nanoparticle ; Chemistry ; Antioxidant ; Nuclear chemistry ; Traditional medicine ; Materials science ; Catalysis ; Nanotechnology ; Biochemistry ; Organic chemistry ; Bacteria ; Biology ; Medicine ; In vitro Nanoparticles: synthesis and applications ; Bioactive Compounds and Antitumor Agents ; Nanoparticle-Based Drug Delivery
Authors: Biju Basumatary | Hidetoshi Tsuruda | Dariusz W. Szczepanik | Jiyeon Lee | Jaehyeok Ryu | Shigeki Mori | Kyo Yamagata | Takayuki Tanaka | Atsuya Muranaka | Masanobu Uchiyama | Jiwon Kim | Masatoshi Ishida | Hiroyuki Furuta
Source: Angewandte Chemie International Edition (article, 2024-04-02)
Field: Materials Science — Materials Chemistry

Metalla‐Carbaporphyrinoids Consisting of an Acyclic N‐Confused Tetrapyrrole Analogue Served as Stable Near‐Infrared‐II Dyes We present herein the synthesis of novel pseudo-metalla-carbaporphyrinoid species (1M: M=Pd and Pt) achieved through the inner coordination of palladium(II) and platinum(II) with an acyclic N-confused tetrapyrrin analogue. Despite their tetrapyrrole frameworks being small, akin to well-known porphyrins, these species exhibit an unusually narrow HOMO-LUMO gap, resulting in an unprecedentedly low-energy absorption in the second near-infrared (NIR-II) region. Density functional theory (DFT) calculations revealed unique d<sub>π</sub>-p<sub>π</sub>-conjugated electronic structures involving the metal d<sub>π</sub>-ligand p<sub>π</sub> hybridized molecular orbitals of 1M. Magnetic circular dichroism (MCD) spectroscopy confirmed distinct electronic structures. Remarkably, the complexes feature an open-metal coordination site in the peripheral NN dipyrrin site, forming hetero-metal complexes (1Pd-BF<sub>2</sub> and 1Pt-BF<sub>2</sub>) through boron difluoride complexation. The resulting hetero metalla-carbaporphyrinoid species displayed further redshifted NIR-II absorption, highly efficient photothermal conversion efficiencies (η; 62-65 %), and exceptional photostability. Despite the challenges associated with the theoretical and experimental assessment of d<sub>π</sub>-p<sub>π</sub>-conjugated metalla-aromaticity in relatively larger (more than 18π electrons) polycyclic ring systems, these organometallic planar tetrapyrrole systems could serve as potential molecular platforms for aromaticity-relevant NIR-II dyes. Tetrapyrrole ; Infrared ; Chemistry ; Physics ; Organic chemistry ; Optics Porphyrin and Phthalocyanine Chemistry ; Nanoplatforms for cancer theranostics ; Luminescence and Fluorescent Materials
Authors: Jiarong Wu | Lasse Kreimendahl | Jake L. Greenfield
Source: Angewandte Chemie International Edition (article, 2024-09-27)
Field: Materials Science — Materials Chemistry

Switching Sides: Regiochemistry and Functionalization Dictate the Photoswitching Properties of Imines Photoswitchable imines demonstrate light-dependent dynamic covalent chemistry and can function as molecular ratchets. However, the design of aryliminopyrazoles (AIPs) has been limited to N-pyrazole derivatives with ortho-pyrrolidine motifs. The impact of other functionalization patterns on the photoswitching properties remains unknown. Here, we present a systematic structure-property analysis and study how the photoswitching properties can be tuned through ortho- and para-functionalization of the phenyl ring in N-pyrazole and N-phenyl AIPs. This study establishes the first set of design rules for these AIP photoswitches and reports the most stable Z-isomer of an AIP to date, enabling its crystallization and resulting in the first reported crystal structure of a metastable Z-aldimine. Finally, we demonstrate that the AIPs are promising candidates for photoswitching in the condensed phase. Surface modification ; Chemistry ; Regioselectivity ; Pyrazole ; Pyrrolidine ; Photoswitch ; Combinatorial chemistry ; Covalent bond ; Nanotechnology ; Stereochemistry ; Materials science ; Photochemistry ; Organic chemistry Photochromic and Fluorescence Chemistry ; Porphyrin and Phthalocyanine Chemistry ; Luminescence and Fluorescent Materials
Authors: Jingyi Zhou | Xiao Han | Ke Tian | Jasper M. van Baten | Zongbi Bao | Zhiguo Zhang | Rajamani Krishna | Qilong Ren | Qiwei Yang
Source: Chemical Engineering Journal (article, 2024-03-30)
Field: Chemistry — Inorganic Chemistry

Engineering pore limiting diameter of metal–organic frameworks for benchmark separation of mono- and di-branched hexane isomers Hexane ; Limiting ; Selectivity ; Adsorption ; Octane ; Metal ; Chemistry ; Chromatographic separation ; Chemical engineering ; Metal-organic framework ; Materials science ; Benchmark (surveying) ; Organic chemistry ; Catalysis ; High-performance liquid chromatography Metal-Organic Frameworks: Synthesis and Applications ; Covalent Organic Framework Applications ; Dendrimers and Hyperbranched Polymers
Authors: Zhilan Zhang | Ruyin Chu | Wanqing Wei | Wei Song | Chao Ye | Xiulai Chen | Jing Wu | Li Liu | Cong Gao
Source: Nature Communications (article, 2024-02-03)
Field: Materials Science — Biomaterials

RETRACTED ARTICLE: Systems engineering of Escherichia coli for high-level glutarate production from glucose Glutarate is a key monomer in polyester and polyamide production. The low efficiency of the current biosynthetic pathways hampers its production by microbial cell factories. Herein, through metabolic simulation, a lysine-overproducing E. coli strain Lys5 is engineered, achieving titer, yield, and productivity of 195.9 g/L, 0.67 g/g glucose, and 5.4 g/L·h, respectively. Subsequently, the pathway involving aromatic aldehyde synthase, monoamine oxidase, and aldehyde dehydrogenase (AMA pathway) is introduced into E. coli Lys5 to produce glutarate from glucose. To enhance the pathway's efficiency, rational mutagenesis on the aldehyde dehydrogenase is performed, resulting in the development of variant Mu5 with a 50-fold increase in catalytic efficiency. Finally, a glutarate tolerance gene cbpA is identified and genomically overexpressed to enhance glutarate productivity. With enzyme expression optimization, the glutarate titer, yield, and productivity of E. coli AMA06 reach 88.4 g/L, 0.42 g/g glucose, and 1.8 g/L·h, respectively. These findings hold implications for improving glutarate biosynthesis efficiency in microbial cell factories. Escherichia coli ; Metabolic engineering ; Biochemistry ; Chemistry ; Biosynthesis ; Yield (engineering) ; Enzyme ; Gene biodegradable polymer synthesis and properties ; Microbial Metabolic Engineering and Bioproduction ; Enzyme Catalysis and Immobilization
Authors: Deli Sun | Yuxin Gong | Yu Wu | Yunrong Chen | Hegui Gong
Source: Advanced Science (article, 2024-06-17)
Field: Chemistry — Organic Chemistry

Bis(pinacolato)diboron‐Enabled Ni‐Catalyzed Reductive Arylation/Vinylation of Alkyl Electrophiles Herein, the use of economically and environmentally friendly bis(pinacolato)diboron (B<sub>2</sub>Pin<sub>2</sub>) is described as a non-metallic reductant in mediating Ni-catalyzed C(sp<sup>3</sup>)-C(sp<sup>2</sup>) reductive cross-coupling of alkyl electrophiles with aryl/vinyl halides. This method exhibits excellent suitability for heteroaryl halides and alkyl halides/Katritzky salts. The present study is compatible with an in situ halogenation of alcohol method, allowing for selective mono-functionalization of diols and bio-relevant alcohols (e.g., carbohydrates). The use of B<sub>2</sub>Pin<sub>2</sub> shows potential for easy scalability without introducing additional metal impurities into the products. It is observed for the first time in the realm of cross-electrophile coupling chemistry that B<sub>2</sub>Pin<sub>2</sub> can sever as a reductant to reduce Ni<sup>II</sup> to Ni<sup>0</sup>. This mechanistic insight may inspire the development of new reductive bond-forming methodologies that can otherwise be difficult to achieve with a metal reductant. Electrophile ; Alkyl ; Halide ; Chemistry ; Aryl ; Catalysis ; Halogenation ; Metal ; Combinatorial chemistry ; Environmentally friendly ; Reductive elimination ; Alcohol ; Organic chemistry Catalytic Cross-Coupling Reactions ; Catalytic C–H Functionalization Methods ; Organoboron and organosilicon chemistry
Authors: Chunping Qi | Ziyou Li | Huichao Bi | Kim Dam‐Johansen
Source: Electrochimica Acta (article, 2024-06-06)
Field: Materials Science — Materials Chemistry

Towards sustainable steel corrosion protection: expanding the applicability of natural hydrolyzable tannin in epoxy coatings via metal complexation The study aimed to develop inhibitive pigments based on the natural biopolymer tannin through metal complexation, as an effective and eco-friendly alternative to conventional inhibitive pigments in epoxy coatings for steel protection in marine environments. Initial screening of metal cations for tannin complexation was conducted via steel immersion tests in 3.5 wt% NaCl solution. The combination of tannin with Zn2+ and Ce3+ both exhibited outstanding corrosion inhibition performance. After a 14-day immersion period, the inhibition efficiency reached 79.0% and 74.0% respectively, compared to 53.9% for pure tannin. The more uniform formation of iron-tannin complexes and the co-deposition of metal hydroxides/oxides are believed to contribute to a synergistic effect, as confirmed by ATR-FTIR and SEM-EDS analysis. Further, considering both inhibition efficiency and eco-friendliness, the cerium(III)-tannin complex (CeTA) pigment was successfully synthesized and incorporated into anticorrosive epoxy coatings. Salt spray exposure and electrochemical impedance spectroscopy (EIS) measurements consistently demonstrated improved pigment compatibility with the epoxy matrix and reinforced coating anticorrosive performance. Tannin ; Epoxy ; Corrosion ; Metal ; Materials science ; Coating ; Nuclear chemistry ; Dielectric spectroscopy ; Chemistry ; Metallurgy ; Chemical engineering ; Electrochemistry ; Composite material Corrosion Behavior and Inhibition ; Concrete Corrosion and Durability ; Hydrogen embrittlement and corrosion behaviors in metals
Authors: Susobhan Das | Luca Catalano | Yves Geerts
Source: Small (article, 2024-04-16)
Field: Materials Science — Materials Chemistry

Gas Release as an Efficient Strategy to Tune Mechanical Properties and Thermoresponsiveness of Dynamic Molecular Crystals Abstract Dynamic molecular crystals combining multiple and finely tunable functionalities are attracting and an increasing attention due to their potential applications in a broad range of fields as efficient energy transducers and stimuli‐responsive materials. In this context, a multicomponent organic salt, piperazinium trifluoroacetate (PZTFA), endowed with an unusual multidimensional responsive landscape is reported. Crystals of the salt undergo smooth plastic deformation under mechanical stress and thermo‐induced jumping. Furthermore, via controlled crystal bending and release of trifluoroacetic acid from the lattice, which is anticipated from the design of the material, both the mechanical response and the thermoresponsive behavior are efficiently tuned while partially preserving the crystallinity of the system. In particular, mechanical deformation hampers guest release and hence the macroscopic jumping effect, while trifluoroacetic acid release stiffens the crystals. These complex adaptive responses establish a new crystal engineering strategy to gain further control over dynamic organic crystals. Trifluoroacetic acid ; Materials science ; Crystallinity ; Context (archaeology) ; Crystal engineering ; Crystal (programming language) ; Salt (chemistry) ; Deformation (meteorology) ; Rational design ; Bending ; Nanotechnology ; Chemical engineering ; Chemical physics ; Crystal structure ; Composite material ; Organic chemistry ; Chemistry ; Supramolecular chemistry ; Computer science Luminescence and Fluorescent Materials ; Photochromic and Fluorescence Chemistry ; Supramolecular Self-Assembly in Materials
Authors: Linnéa Andersson | Michiel Sprik | Jürg Hutter | Chao Zhang
Source: Angewandte Chemie International Edition (article, 2024-09-23)
Field: Chemistry — Electrochemistry

Electronic Response and Charge Inversion at Polarized Gold Electrode We have studied polarized Au(100) and Au(111) electrodes immersed in electrolyte solution by implementing finite-field methods in density functional theory-based molecular dynamics simulations. This allows us to directly compute the Helmholtz capacitance of electric double layer by including both electronic and ionic degrees of freedom, and the results turn out to be in excellent agreement with experiments. It is found that the electronic response of Au electrode makes a crucial contribution to the high Helmholtz capacitance and the instantaneous adsorption of Cl can lead to a charge inversion on the anodic polarized Au(100) surface. These findings point out ways to improve popular semi-classical models for simulating electrified solid-liquid interfaces and to identify the nature of surface charges therein which are difficult to access in experiments. Helmholtz free energy ; Capacitance ; Electrode ; Electrolyte ; Electric field ; Materials science ; Anode ; Adsorption ; Polarization (electrochemistry) ; Condensed matter physics ; Density functional theory ; Chemical physics ; Molecular physics ; Chemistry ; Physics ; Computational chemistry ; Thermodynamics ; Physical chemistry ; Quantum mechanics Electrochemical Analysis and Applications ; Electrocatalysts for Energy Conversion ; Molecular Junctions and Nanostructures