jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Zhongxiang Ding | Chao Wang | Xin Song | Ning Li | Xinyong Zheng | Chenxue Wang | Mengke Su | Honglin Liu
Source: ACS Applied Materials & Interfaces (article, 2023-02-21)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Strong π-Metal Interaction Enables Liquid Interfacial Nanoarray–Molecule Co-assembly for Raman Sensing of Ultratrace Fentanyl Doped in Heroin, Ketamine, Morphine, and Real Urine Toward the challenge on reliable determination of trace fentanyl to avoid opioid overdose death in drug crisis, here we realize rapid and direct detection of trace fentanyl in real human urine without pretreatment by a portable surface enhanced Raman spectroscopy (SERS) strategy on liquid/liquid interfacial (LLI) plasmonic arrays. It was observed that fentanyl could interact with the gold nanoparticles (GNPs) surface, facilitate the LLI self-assembly, and consequently amplify the detection sensitivity with a limit of detection (LOD) as low as 1 ng/mL in aqueous solution and 50 ng/mL spiked in urine. Furthermore, we achieve multiplex blind sample recognition and classification of ultratrace fentanyl doped in other illegal drugs, which has extremely low LODs at mass concentrations of 0.02% (2 ng in 10 μg of heroin), 0.02% (2 ng in 10 μg of ketamine), and 0.1% (10 ng in 10 μg of morphine). A logic circuit of the AND gate was constructed for automatic recognition of illegal drugs with or without fentanyl doping. The data-driven analog soft independent modeling model could quickly distinguish fentanyl-doped samples from illegal drugs with 100% specificity. Molecular dynamics (MD) simulation elucidates the underlying molecular mechanism of nanoarray-molecule co-assembly through strong π-metal interactions and the differences in the SERS signal of various drug molecules. It paves a rapid identification, quantification, and classification strategy for trace fentanyl analysis, indicating broad application prospects in response to the opioid epidemic crisis. Materials science ; Fentanyl ; Detection limit ; Heroin ; Surface-enhanced Raman spectroscopy ; Raman spectroscopy ; Nanotechnology ; Molecule ; Chromatography ; Raman scattering ; Drug ; Pharmacology ; Chemistry ; Organic chemistry ; Medicine ; Optics ; Physics Gold and Silver Nanoparticles Synthesis and Applications ; Spectroscopy Techniques in Biomedical and Chemical Research ; Biosensors and Analytical Detection
Authors: Haojia Qin | Shuai Zhao | Huaping Gong | Zhi Yu | Qiang Chen | Pei Liang | Zhang De
Source: Biosensors (review, 2023-04-16)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Recent Progress in the Application of Metal Organic Frameworks in Surface-Enhanced Raman Scattering Detection Metal-organic framework (MOF) compounds are centered on metal ions or metal ion clusters, forming lattices with a highly ordered periodic porous network structure by connecting organic ligands. As MOFs have the advantages of high porosity, large specific surface area, controllable pore size, etc., they are widely used in gas storage, catalysis, adsorption, separation and other fields. SERS substrate based on MOFs can not only improve the sensitivity of SERS analysis but also solve the problem of easy aggregation of substrate nanoparticles. By combining MOFs with SERS, SERS performance is further improved, and tremendous research progress has been made in recent years. In this review, three methods of preparing MOF-based SERS substrates are introduced, and the latest applications of MOF-based SERS substrates in biosensors, the environment, gases and medical treatments are discussed. Finally, the current status and prospects of MOF-based SERS analysis are summarized. Raman scattering ; Materials science ; Surface (topology) ; Nanotechnology ; Raman spectroscopy ; Environmental science ; Optics ; Physics Gold and Silver Nanoparticles Synthesis and Applications ; Machine Learning and ELM ; Advanced Nanomaterials in Catalysis
Authors: Urška Vrabič Brodnjak
Source: Gels (review, 2023-12-28)
Field: Chemistry — Spectroscopy

Hybrid Materials of Bio-Based Aerogels for Sustainable Packaging Solutions This review explores the field of hybrid materials in the context of bio-based aerogels for the development of sustainable packaging solutions. Increasing global concern over environmental degradation and the growing demand for environmentally friendly alternatives to conventional packaging materials have led to a growing interest in the synthesis and application of bio-based aerogels. These aerogels, which are derived from renewable resources such as biopolymers and biomass, have unique properties such as a lightweight structure, excellent thermal insulation, and biodegradability. The manuscript addresses the innovative integration of bio-based aerogels with various other materials such as nanoparticles, polymers, and additives to improve their mechanical, barrier, and functional properties for packaging applications. It critically analyzes recent advances in hybridization strategies and highlights their impact on the overall performance and sustainability of packaging materials. In addition, the article identifies the key challenges and future prospects associated with the development and commercialization of hybrid bio-based aerogel packaging materials. The synthesis of this knowledge is intended to contribute to ongoing efforts to create environmentally friendly alternatives that address the current problems associated with conventional packaging while promoting a deeper understanding of the potential of hybrid materials for sustainable packaging solutions. Environmentally friendly ; Commercialization ; Sustainability ; Context (archaeology) ; Aerogel ; Nanotechnology ; Materials science ; Biochemical engineering ; Business ; Engineering Aerogels and thermal insulation ; Advanced Cellulose Research Studies ; Surface Modification and Superhydrophobicity
Authors: Wahaaj Ali | Mónica Echeverry‐Rendón | Guillermo Domínguez | Kerstin van Gaalen | Alexander Kopp | Carlos González | Javier LLorca
Source: Biomaterials Advances (article, 2023-02-01)
Field: Materials Science — Biomaterials

Bioabsorbable WE43 Mg alloy wires modified by continuous plasma electrolytic oxidation for implant applications. Part II: Degradation and biological performance The corrosion, mechanical degradation and biological performance of cold-drawn WE43 Mg wires were analyzed as a function of thermo-mechanical processing and the presence of a protective oxide layer created by continuous plasma electrolytic oxidation (PEO). It was found that the corrosion properties of the non-surface-treated wire could be optimized by means of thermal treatment within certain limits, but the corrosion rate remained very high. Hence, strength and ductility of these wires vanished after 24 h of immersion in simulated body fluid at 37 °C and, as a result of that rather quick degradation, direct tests did not show any MC3T3-E1 preosteoblast cell attachment on the surface of the Mg wires. In contrast, surface modification of the annealed WE43 Mg wires by a continuous PEO process led to the formation of a homogeneous oxide layer of ≈8 μm and significantly improved the corrosion resistance and hence the biocompatibility of the WE43 Mg wires. It was found that a dense layer of Ca/P was formed at the early stages of degradation on top of the Mg(OH)<sub>2</sub> layer and hindered the diffusion of the Cl<sup>-</sup> ions which dissolve Mg(OH)<sub>2</sub> and accelerate the corrosion of Mg alloys. As a result, pitting corrosion was suppressed and the strength of the Mg wires was above 100 MPa after 96 h of immersion in simulated body fluid at 37 °C. Moreover, many cells were able to attach on the surface of the PEO surface-modified wires during cell culture testing. These results demonstrate the potential of thin Mg wires surface-modified by continuous PEO in terms of mechanical, degradation and biological performance for bioabsorbable wire-based devices. Corrosion ; Materials science ; Simulated body fluid ; Oxide ; Alloy ; Biocompatibility ; Plasma electrolytic oxidation ; Metallurgy ; Surface modification ; Electrolyte ; Degradation (telecommunications) ; Passivation ; Immersion (mathematics) ; Composite material ; Layer (electronics) ; Chemical engineering ; Chemistry ; Scanning electron microscope Magnesium Alloys: Properties and Applications ; Aluminum Alloys Composites Properties ; Hydrogen Storage and Materials
Authors: Siti Aisyah Syazwani Zaidi | Cham Eng Kwan | Denesh Mohan | Shuhaida Harun | Abdullah Amru Indera Luthfi | Mohd Shaiful Sajab
Source: Materials (article, 2023-02-22)
Field: Materials Science — Biomaterials

Evaluating the Stability of PLA-Lignin Filament Produced by Bench-Top Extruder for Sustainable 3D Printing As additive manufacturing continues to evolve, there is ongoing discussion about ways to improve the layer-by-layer printing process and increase the mechanical strength of printed objects compared to those produced by traditional techniques such as injection molding. To achieve this, researchers are exploring ways of enhancing the interaction between the matrix and filler by introducing lignin in the 3D printing filament processing. In this work, research has been conducted on using biodegradable fillers of organosolv lignin, as a reinforcement for the filament layers in order to enhance interlayer adhesion by using a bench-top filament extruder. Briefly, it was found that organosolv lignin fillers have the potential to improve the properties of polylactic acid (PLA) filament for fused deposition modeling (FDM) 3D printing. By incorporating different formulations of lignin with PLA, it was found that using 3 to 5% lignin in the filament leads to an improvement in the Young's modulus and interlayer adhesion in 3D printing. However, an increment of up to 10% also results in a decrease in the composite tensile strength due to the lack of bonding between the lignin and PLA and the limited mixing capability of the small extruder. Plastics extrusion ; Protein filament ; Materials science ; Lignin ; 3D printing ; Composite material ; Polymer science ; Process engineering ; Waste management ; Chemical engineering ; Engineering ; Chemistry ; Organic chemistry biodegradable polymer synthesis and properties ; Lignin and Wood Chemistry ; Additive Manufacturing and 3D Printing Technologies
Authors: Gonghua Hong | Qing Qu | Orlando J. Rojas | Lei Li | Delong Xie | Yuxin Liu
Source: Chemical Engineering Journal (article, 2023-06-07)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Epiphyte-inspired multifunctional biocomposites for electromagnetic interference shielding With the development of advanced communication systems, paralleled with recent efforts to adopt lightweight, low-carbon footprint materials, there is an urgent demand for green electromagnetic interference (EMI) shielding materials. However, this is challenged by the shielding effectiveness of bio-based EMI and their capacity to eliminate radiation pollution while meeting the demands of diverse application environments. Learning from the strategies used by epiphytes, we introduce a highly efficient and multi-functional bio-based EMI shielding eco-material. We developed 3D hybrid network structures incorporating coordination-driven silver nanoparticles to achieve excellent shielding effectiveness, ∼30.8 dB, while simultaneously meeting mechanical demands, multi-functionality, water resistance, flame retardancy, and antibacterial properties. Overall, this work provides a novel but practical pathway to implement bio-based materials conferred with EMI protection, applicable in next-generation electronics. EMI ; Electromagnetic shielding ; Electromagnetic interference ; Electronics ; Footprint ; Carbon footprint ; Materials science ; Interference (communication) ; Nanotechnology ; Computer science ; Engineering ; Telecommunications ; Electrical engineering ; Composite material ; Ecology Electromagnetic wave absorption materials
Authors: Larissa Brandner | Thomas J. J. Müller
Source: Frontiers in Chemistry (review, 2023-03-17)
Field: Materials Science — Materials Chemistry

Multicomponent synthesis of chromophores – The one-pot approach to functional π-systems Multicomponent reactions, conducted in a domino, sequential or consecutive fashion, have not only considerably enhanced synthetic efficiency as one-pot methodology, but they have also become an enabling tool for interdisciplinary research. The highly diversity-oriented nature of the synthetic concept allows accessing huge structural and functional space. Already some decades ago this has been recognized for life sciences, in particular, lead finding and exploration in pharma and agricultural chemistry. The quest for novel functional materials has also opened the field for diversity-oriented syntheses of functional π-systems, i.e. dyes for photonic and electronic applications based on their electronic properties. This review summarizes recent developments in MCR syntheses of functional chromophores highlighting syntheses following either the framework forming scaffold approach by establishing connectivity between chromophores or the chromogenic chromophore approach by <i>de novo</i> formation of chromophore of interest. Both approaches warrant rapid access to molecular functional π-systems, i.e. chromophores, fluorophores, and electrophores for various applications. Chromophore ; Functional diversity ; Nanotechnology ; Chromogenic ; Chemical space ; Combinatorial chemistry ; Computer science ; Chemistry ; Materials science ; Organic chemistry ; Drug discovery ; Biology Luminescence and Fluorescent Materials ; Molecular Sensors and Ion Detection ; Synthesis and Characterization of Heterocyclic Compounds
Authors: Qinghe Zhuang | Zeqian Sun | Chang‐Gen Lin | Bo Qi | Yu‐Fei Song
Source: Inorganic Chemistry Frontiers (article, 2023-01-01)
Field: Materials Science — Materials Chemistry

Latest progress in asymmetrically functionalized Anderson-type polyoxometalates Asymmetrically functionalized Anderson-type polyoxometalates were overviewed, including the key factors of various synthesis methods, separation methods, advantages of asymmetric structures, and their applications. Nanotechnology ; Key (lock) ; Materials science ; Type (biology) ; Computer science Polyoxometalates: Synthesis and Applications ; Chemical Synthesis and Reactions ; Metal-Organic Frameworks: Synthesis and Applications
Authors: Qi Wang | Yongli Ding | Randy A. Dahlgren | Yue Sun | Jingjing Gu | Yuhao Li | Tingting Liu | Xuedong Wang
Source: Analytica Chimica Acta (article, 2023-03-08)
Field: Materials Science — Materials Chemistry

Ultrafine V2O5-anchored 3D N-doped carbon nanocomposite with augmented dual-enzyme mimetic activity for evaluating total antioxidant capacity Total antioxidant capacity (TAC) can be evaluated by detecting the content of antioxidants, such as ascorbic acid, based on the enzyme-mimetic activity of nanomaterials. Herein, we fabricated a 3D-V<sub>2</sub>O<sub>5</sub>/NC nanocomposite using a self-templating strategy, which achieved ultrafine particles (∼2.5 nm), a porous carbon layer, large specific surface area (152.4 m<sup>2</sup>/g), N-doping and heterogeneous structure. The strong catalytic activity of 3D-V<sub>2</sub>O<sub>5</sub>/NC resulted from the integrated effect between the ultrafine structure of V<sub>2</sub>O<sub>5</sub> nanoparticles and the 3D porous nitrogen-doped carbon framework, effectively increasing the number of active sites. This nanozyme presented a higher catalytic activity than its components or precursors in the nanocomposite (e.g., VN/NC, NC, V<sub>2</sub>O<sub>5</sub>, and VO<sub>2</sub>/g-C<sub>3</sub>N<sub>4</sub>). ROS scavenging experiments confirmed that the dual enzyme-like activity of 3D-V<sub>2</sub>O<sub>5</sub>/NC (catalase-like and oxidase-like) resulted from their co-participation of ‧O<sub>2</sub><sup>-</sup>, h<sup>+</sup> and ‧OH, among which ‧O<sub>2</sub><sup>-</sup> played a crucial role in the catalytic color reaction. By virtue of the 3D-V<sub>2</sub>O<sub>5</sub>/NC nanoenzyme activity and TMB as a chromogenic substrate, the mixed system of 3D-V<sub>2</sub>O<sub>5</sub>/NC + TMB + H<sub>2</sub>O<sub>2</sub> provided a low detection limit (0.03 μM) and suitable recovery (93.0-109.5%) for AA. Additionally, a smartphone-based colorimetric application was developed employing "Thing Identify" software to evaluate TAC in beverages. The colorimetric sensor and smartphone-detection platform provide a better or comparable analytical performance for TAC assessment in comparison to commercial ABTS test kits. The newly developed smartphone-based colorimetric platform presents several prominent advantageous, such as low cost, simple/rapid operation, and feasibility for outdoor use. Chemistry ; Nanocomposite ; Antioxidant ; Antioxidant capacity ; Enzyme ; Dual (grammatical number) ; Doping ; Carbon fibers ; Enzyme assay ; Chemical engineering ; Nuclear chemistry ; Nanotechnology ; Organic chemistry ; Composite number ; Composite material ; Optoelectronics Advanced Nanomaterials in Catalysis ; Electrochemical sensors and biosensors ; Advanced biosensing and bioanalysis techniques
Authors: Rundao Chen | Fang Zheng | Jiaqi Li | Ying Liu | Fangru Zhou | Haoran Sun | Qiwei Yang | Zhiguo Zhang | Qilong Ren | Zongbi Bao
Source: Small Structures (article, 2023-09-24)
Field: Chemistry — Inorganic Chemistry

Aperture Fine‐Tuning in Cage‐Like Metal–Organic Frameworks via Molecular Valve Strategy for Efficient Hexane Isomer Separation Cage‐like metal–organic frameworks (MOFs) are promising for hexane isomer separation, but their aperture sizes are difficult to control precisely. Herein, a molecular valve strategy is proposed to fine‐tune the aperture of cage‐like MOFs, thereby enhancing their separation performance for hexane isomers. Three novel isostructural cage‐like MOFs, namely Cu‐MO 4 ‐TPA, are synthesized using different oxometallate anions (MO 4 2− , M = Cr, Mo, and W) and the ligand tri(pyridin‐4‐yl)amine (TPA). The different oxometallate anions induce varying degrees of twisting in the TPA ligand, leading to sub‐angstrom tuning in the aperture size of the MOFs. The materials can separate hexane isomers based on their degree of branching, with the smallest aperture material (Cu‐MoO 4 ‐TPA) showing molecular sieving of di‐branched isomers. Adsorption isotherms, kinetic, and breakthrough measurements, Monte Carlo, and density functional theory calculations confirm the aperture size differences result in superior separation of hexane isomers by molecular sieving on Cu‐MoO 4 ‐TPA. The results demonstrate the effectiveness of molecular valve strategy for fine‐tuning MOF aperture size for selective separation applications. Isostructural ; Hexane ; Aperture (computer memory) ; Adsorption ; Ligand (biochemistry) ; Materials science ; Molecule ; Metal-organic framework ; Chemistry ; Crystallography ; Physical chemistry ; Organic chemistry ; Crystal structure Metal-Organic Frameworks: Synthesis and Applications ; Supramolecular Chemistry and Complexes ; Magnetism in coordination complexes
Authors: Petra Bombicz
Source: IUCrJ (article, 2023-12-06)
Field: Chemistry — Physical and Theoretical Chemistry

What is isostructurality? Questions on the definition Investigation of isostructurality leads to a deeper understanding of close-packing principles and contributes to the ability of crystal engineering. A given packing motif may tolerate small molecular changes within a limit. Slight alterations of a crystal packing arrangement are carried out in order to fine-tune the structural and macroscopic properties, keeping the balance of the spatial requirements and electrostatic effects of the altered molecules in the crystals, preserving their isostructurality. Even so, the definition of isostructurality is not explicit about several issues. Are the corresponding structures required to have the same stoichiometry, Z', symmetry elements and the same space group? Because it is not obvious in the definition, studies on structure analysis and software calculating various numerical descriptors developed for the quantitative comparison of the degree of similarity of isostructural crystals self-define their criteria. The extent of the difference between corresponding crystal structures referred to as isostructural is not limited. Should it be determined numerically? There is nothing in the definition about a demand for similar supramolecular arrangements in isostructural crystals. Should the similarity of supramolecular interactions be a criterion of isostructurality? The definition of isostructurality deserves reconsideration regarding symmetry, measure of similarity and formation of supramolecular interactions. Isostructural ; Supramolecular chemistry ; Crystal structure ; Chemistry ; Similarity (geometry) ; Crystal engineering ; Mathematics ; Crystallography ; Computer science ; Artificial intelligence Crystallography and molecular interactions ; Chemical Thermodynamics and Molecular Structure ; Crystallization and Solubility Studies
Authors: Gianluca Viscusi | Gaetana Paolella | Elena Lamberti | Ivana Caputo | Giuliana Gorrasi
Source: Membranes (article, 2023-02-17)
Field: Materials Science — Biomaterials

Quercetin-Loaded Polycaprolactone-Polyvinylpyrrolidone Electrospun Membranes for Health Application: Design, Characterization, Modeling and Cytotoxicity Studies Fibrous membranes of polycaprolactone (PCL)-polyvinylpyrrolidone (PVP) encapsulating 15% wt of quercetin are fabricated by a uniaxial electrospinning technique. Morphological analysis of the electrospun systems proved the fabrication of micrometric fibers (1.58 µm for PCL/PVP and 2.34 µm for quercetin-loaded membrane). The liquid retention degree of the electrospun membranes is evaluated by testing four different liquid media. The contact angle estimation is performed by testing three liquids: phosphate buffer solution, basic solution (pH = 13) and acidic solution (pH = 3), showing high hydrophobicity degree (contact angles > 90°) in all cases. The release of quercetin from the nanofibers in PBS (phosphate buffer solution) and pH = 3 medium, modeled through different models, shows the possibility of a fine tuning of drug release (up to 7 days) for the produced materials. The release profiles attained a plateau regime after roughly 50 h up to 82% and 71% for PBS and pH = 3 media, respectively. Then, since quercetin is known to undergo photooxidation upon UV radiation, release tests after different UV treatment times are carried out and compared with the untreated membrane, demonstrating that the release of the active drug changes from 82% for no-irradiated sample up to 57% after 10 h of UV exposure. The biology activity of released quercetin is evaluated on two human cell lines. The reported results demonstrate the ability of the quercetin-loaded membranes to reduce cell viability of human cell lines in two different conditions: direct contact between cells and quercetin-loaded membranes and cells treatment with culture medium previously conditioned with quercetin-loaded membranes. Therefore, the reported preliminary data confirm the possibility of applying the electrospun quercetin-loaded PCL-PVP membranes for health applications. Quercetin ; Polycaprolactone ; Polyvinylpyrrolidone ; Membrane ; Electrospinning ; Materials science ; Contact angle ; Chemical engineering ; Chromatography ; Chemistry ; Nuclear chemistry ; Polymer ; Polymer chemistry ; Organic chemistry ; Composite material ; Biochemistry Electrospun Nanofibers in Biomedical Applications ; Advanced Sensor and Energy Harvesting Materials ; Tissue Engineering and Regenerative Medicine