jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Qiaoxian He | Feng Chen | Zheng Zhao | Pengfei Pei | Yongqing Gan | Aixuan Zhou | Jingwei Zhou | Jia-Huan Qu | Jacques Crommen | Marianne Fillet | Yingchun Li | Qiqin Wang | Zhengjin Jiang
Source: Analytical Chemistry (article, 2024-04-02)
Field: Materials Science — Biomaterials

Supramolecular Mimotope Peptide Nanofibers Promote Antibody–Ligand Polyvalent and Instantaneous Recognition for Biopharmaceutical Analysis Peptide-based supramolecules exhibit great potential in various fields due to their improved target recognition ability and versatile functions. However, they still suffer from numerous challenges for the biopharmaceutical analysis, including poor self-assembly ability, undesirable ligand-antibody binding rates, and formidable target binding barriers caused by ligand crowding. To tackle these issues, a "polyvalent recognition" strategy employing the CD20 mimotope peptide derivative NBD-FFVLR-GS-WPRWLEN (acting on the CDR domains of rituximab) was proposed to develop supramolecular nanofibers for target antibody recognition. These nanofibers exhibited rapid self-assembly within only 1 min and robust stability. Their binding affinity (179 nM) for rituximab surpassed that of the monomeric peptide (7 μM) by over 38-fold, highlighting that high ligand density and potential polyvalent recognition can efficiently overcome the target binding barriers of traditional supramolecules. Moreover, these nanofibers exhibited an amazing "instantaneous capture" rate (within 15 s), a high recovery (93 ± 3%), and good specificity for the target antibody. High-efficiency enrichment of rituximab was achieved from cell culture medium with good recovery and reproducibility. Intriguingly, these peptide nanofibers combined with bottom-up proteomics were successful in tracking the deamidation of asparagine 55 (from 10 to 16%) on the rituximab heavy chain after 21 day incubation in human serum. In summary, this study may open up an avenue for the development of versatile mimotope peptide supramolecules for biorecognition and bioanalysis of biopharmaceuticals. Deamidation ; Chemistry ; Mimotope ; Nanofiber ; Peptide ; Combinatorial chemistry ; Ligand (biochemistry) ; Molecular recognition ; Computational biology ; Nanotechnology ; Biophysics ; Biochemistry ; Phage display ; Receptor ; Biology ; Organic chemistry Supramolecular Self-Assembly in Materials ; Advanced biosensing and bioanalysis techniques ; RNA Interference and Gene Delivery
Authors: Jayashree V. Patil | Shubhangi S. Soman | Shweta Umar | Pankaj Sanjay Girase | Suresh Balakrishnan
Source: ChemistrySelect (article, 2024-01-16)
Field: Chemistry — Organic Chemistry

Synthesis of pyrazolone derivatives of coumarin as anticancer agents Abstract Pursuing on our efforts towards searching for efficient anticancer agents herein we have designed and synthesized pyrazolone derivatives of 7‐amino 4‐methyl coumarin and 6‐amino coumarin. Anticancer activity of all the compounds were performed against lungs cancer cell line (A549) and breast cancer cell line (MCF‐7) using MTT assay. Out of all the compounds, compounds 17 c and 19 b exhibited remarkable activity with IC 50 value of 1.22 μM and 1.66 μM against lungs cancer cell line (A549) breast cancer cell line (MCF‐7) respectively. Consequently, both compounds 17 c and compound 19 b were selected to study their cytotoxicity mechanism using different assays which includes EtBr/AO assay in respective cell, quantification of ROS using DCFH‐DA dye. To explore the behavioral and selective properties of the synthesized molecules, experimental analysis was complemented with computational methods. The electronic and structural parameters for both compound 17 c and 19 b were calculated using density functional theory (DFT) calculations and correlated with the observed biological activity. Molecular docking was conducted to explore the interaction of compounds 17 c and 19 b with pivotal apoptotic genes, namely p53 and caspase 3. Compound 17 c exhibited docking scores of −8.6 and −8.4 kcal/mol for p53 and caspase 3, while compound 19 b showed scores of −9.3 kcal/mol for both genes, significantly surpassing fluorouracil. Hence, compound 17 c and 19 b can be pursued for further studies, including molecular and In Vivo investigations. Coumarin ; Cytotoxicity ; Docking (animal) ; Pyrazolone ; Chemistry ; MTT assay ; Apoptosis ; In vivo ; Cell culture ; Stereochemistry ; A549 cell ; Molecule ; In vitro ; Combinatorial chemistry ; Biochemistry ; Biology ; Organic chemistry ; Medicine Synthesis and biological activity ; Bioactive Compounds and Antitumor Agents ; Multicomponent Synthesis of Heterocycles
Authors: Savvas Koltsakidis | Konstantinos Tsongas | Dimitrios Tzetzis
Source: Advanced Engineering Materials (article, 2024-11-23)
Field: Materials Science — Polymers and Plastics

Combining Micro and Macro Relative Density: An Experimental and Computational Study on Hierarchical Porous 3D‐Printed Polylactic Acid Structures Polymer foams and cellular solids have gained significant interest due to their enhanced properties. This study introduces a novel approach by employing foamed fused filament fabrication printing of cellular solids. A composite polylactic acid filament containing chemical blowing agents is used to create structures with varying micro relative density, which is examined through scanning electron microscopy and tensile testing, with comparisons made to a Mori Tanaka analytical model and representative volume elements investigation. Two different types of cellular solid structures, specifically body‐centered cubic and Gyroid triple periodic minimal surface structures, have been created with different thicknesses and printed at various temperatures. This is done to attain a range of micro‐ and macroporosity, leading to samples with equal total relative densities. Compression tests, coupled with finite element analysis, provide insights into the influence of each type of porosity. The fabricated specimens exhibit compressive strengths ranging from 1.07 to 79.14 MPa and elastic moduli ranging from 0.064 to 3.35 GPa. The findings suggest that porous structures relying on macroporosity exhibit higher compressive strength, while those relying on microporosity demonstrate more appealing energy absorption properties, particularly under stresses approaching the plateau region. Materials science ; Polylactic acid ; Porosity ; Composite material ; Compressive strength ; Relative density ; Gyroid ; Scanning electron microscope ; Ultimate tensile strength ; Compression (physics) ; Porous medium ; Protein filament ; Polymer ; Microstructure Polymer Foaming and Composites ; Cellular and Composite Structures ; Additive Manufacturing and 3D Printing Technologies
Authors: Juhyeong Kim | Junho Lee | Hwajeong Ryu | Yoon Hwa | Aneel Pervez | Tae-Yong Choi | Su-Yong Nam | Yoonkook Son
Source: Applied Sciences (article, 2024-04-01)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Lotus Root Type Nickel Oxide-Carbon Nanofibers: A Hybrid Supercapacitor Electrode Material In this study, we investigate the electrochemical properties of a nickel oxide-carbon (NiO/C) material, synthesized in the form of highly porous carbon nanofibers through the electrospinning of polymers such as polyacrylonitrile (PAN) and polystyrene (PS) followed by a carbonization process. The primary focus of this work is to determine the optimal mixing ratio for the hybrid material composed of NiO and carbon. While it is widely acknowledged that supercapacitor materials benefit from having a high specific surface area, our findings reveal that hybrid carbon nanofibers with a 45% specific carbon-to-nickel oxide ratio exhibit significantly enhanced capacitance (39.9 F g−1). This outcome suggests the promising potential of our materials as an energy storage material for hybrid supercapacitors, combining the advantages of electric double-layer capacitors (EDLC) and Pseudo capacitors (Pseudo). Supercapacitor ; Materials science ; Polyacrylonitrile ; Carbon nanofiber ; Carbonization ; Nickel oxide ; Non-blocking I/O ; Carbon fibers ; Nanofiber ; Electrospinning ; Capacitance ; Chemical engineering ; Oxide ; Composite material ; Nanotechnology ; Electrode ; Polymer ; Carbon nanotube ; Metallurgy ; Composite number ; Organic chemistry ; Chemistry Supercapacitor Materials and Fabrication ; Electrospun Nanofibers in Biomedical Applications ; Advancements in Battery Materials
Authors: Xing-Guo Ye | Pengfei Zhu | Wen-Zheng Xu | Tong-Yang Zhao | Zhi‐Min Liao
Source: Physical review. B./Physical review. B (article, 2024-11-18)
Field: Materials Science — Materials Chemistry

Nonlinear spin and orbital Edelstein effect in <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:mrow><mml:mi>WT</mml:mi><mml:msub><mml:mi mathvariant="normal">e</mml:mi><mml:mn>2</mml:mn></mml:msub></mml:mrow></mml:math> In materials with spin-momentum locked spin textures, such as Rashba states and topological surface states, the current-induced shift of the Fermi contour in the $k$ space leads to spin polarization, known as the Edelstein effect, which depends linearly on the applied current. However, its nonlinear counterpart has not yet been discovered. Here, we report the observation of the nonlinear Edelstein effect in few-layer $\mathrm{WT}{\mathrm{e}}_{2}$. Under a current bias, an out-of-plane magnetization is induced in $\mathrm{WT}{\mathrm{e}}_{2}$, which is electrically probed using an $\mathrm{F}{\mathrm{e}}_{3}\mathrm{GeT}{\mathrm{e}}_{2}$ electrode, a van der Waals ferromagnet with perpendicular magnetic anisotropy. Notably, with an applied ac at frequency \ensuremath{\omega}, an induced magnetization with second-harmonic response at frequency 2\ensuremath{\omega} is observed, and its magnitude demonstrates a quadratic dependence on the applied current, characteristic of the nonlinear Edelstein effect. This phenomenon is well explained by the current-induced orbital magnetization via the Berry connection polarizability tensors in $\mathrm{WT}{\mathrm{e}}_{2}$. The orbital degree of freedom plays the primary role in the observed nonlinear Edelstein effect, that is, the nonlinear orbital Edelstein effect. This can, in turn, give rise to a nonlinear spin Edelstein effect through spin-orbit coupling. Physics 2D Materials and Applications ; Topological Materials and Phenomena ; Quantum and electron transport phenomena
Authors: Yu Kang | Haoyu Li | Mingjie Bao | Zheng Yuan | Ludi Wang | Dezhu Liu | Jiahui Li | Ziyi Wei | Chaoqun Weng | Guo Wang | Xiaoyan Tang | Li Wang
Source: Journal of Materials Chemistry C (article, 2024-01-01)
Field: Materials Science — Materials Chemistry

A step forward in unraveling the lanthanide discrimination puzzle: structure–selectivity relationship based on phenanthroline diimide ligands towards europium and terbium detection in water Unveiling the lanthanides selectivity in aqueous media from the molecular structures bias was demonstrated which could potentially contribute to establish the structure-function relationship for intragroup lanthanides discrimination and extractions. Lanthanide ; Terbium ; Europium ; Selectivity ; Phenanthroline ; Materials science ; Aqueous medium ; Aqueous solution ; Inorganic chemistry ; Luminescence ; Chemistry ; Organic chemistry ; Catalysis ; Optoelectronics Lanthanide and Transition Metal Complexes ; Radioactive element chemistry and processing ; Analytical chemistry methods development
Authors: Elisa Damiani | Margherita Marsili | Maria Clelia Righi
Source: Carbon (article, 2024-08-23)
Field: Materials Science — Materials Chemistry

Tuning the adhesion of diamond/copper interfaces through surface chemical modifications and reconstruction Diamond and diamond-like carbon (DLC) coatings are well-known for their exceptional combination of tribological and mechanical properties, such as low friction coefficients and wear rates, together with high hardness and elastic modulus. A significant limitation in their employment concerns their spallation from the substrate; it is thus interesting to explore how DLCs adhesion can be tuned through chemical modifications of its surfaces. We employ ab initio simulations to study the effect of surface reconstruction and chemical species intercalation (B, P, O, F, N, S, H) on the adhesion of non-reconstructed and Pandey-reconstructed C(111)/Cu(111) interfaces. We found that the increment of graphitization at the diamond surface decreases the adhesion. Moreover, when a high degree of surface graphitization is present the best way to increase adhesion is to select atoms able to act as chemical bridges (e.g., B and N), compensating for the lack of interaction between the surfaces. Conversely, adhesion reduction of ∼ 100% can be achieved, regardless of the degree of surface graphitization, by intercalating an atomic species that does not bond with the countersurface and prevents the interaction between the slabs, i.e. F and S. • Adhesion tuning of DLC coatings is needed to prevent spallation from the substrate. • Effects of surface reconstruction and dopant intercalation are studied using DFT. • Increment of diamond surface graphitization decreases the adhesion. • B and N enhance adhesion when high diamond surface graphitization is present. • F and S cause a drop in adhesion regardless of the level of surface graphitization. Copper ; Materials science ; Adhesion ; Diamond ; Surface (topology) ; Surface reconstruction ; Nanotechnology ; Metallurgy ; Composite material ; Geometry Diamond and Carbon-based Materials Research ; Force Microscopy Techniques and Applications ; Metal and Thin Film Mechanics
Authors: Kévin Vilayphone | Mohamed Amara | Régis Orobtchouk | Fabien Mandorlo | Serge Mazauric | Xavier Letartre | Sébastien Cueff | Hai Son Nguyen | Thomas Wood
Source: ACS Photonics (article, 2024-02-12)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Design Rules for Structural Colors in All-Dielectric Metasurfaces: From Individual Resonators to Collective Resonances and Color Multiplexing In this work, we comprehensively review Mie resonator-based and nonlocal resonant metasurfaces working in the reflection configuration for color printing applications, with particular attention to high observation angle applications. While Mie resonator-based metasurfaces are found to be simple to design and present low sensitivity to the observation angle, they present the drawback of low color saturation. By contrast, square lattice photonic crystal waveguide-based metasurfaces show very selective spectral responses, yielding pure colors but with high selectivity on the observation angle. In order to harness the exceptional color-filtering properties of photonic crystal waveguides and maintain the desired spectral response under oblique angles of observation, a rectangular lattice for the crystal structure is proposed. We provide design rules and examples in order to produce angularly robust, vivid colors at any desired wavelength within the visible spectrum. Furthermore, by exploiting the polarization of the incident light and adapting the design of the photonic crystal structures, we demonstrate color multiplexing for cryptography applications. Structural coloration ; Resonator ; Optics ; Photonic crystal ; Optoelectronics ; Multiplexing ; Photonics ; Dielectric ; Polarization (electrochemistry) ; Materials science ; Physics ; Computer science ; Telecommunications Metamaterials and Metasurfaces Applications ; Plasmonic and Surface Plasmon Research ; Photonic Crystals and Applications
Authors: Jianhua Yuan | Tianxiao Sun | Jinfeng Chen | Runhong Zhou | Jianglin Cao | Fei Yu | Liqing Li | Xiumin Zhong | Jie Ma
Source: Advanced Science (article, 2024-10-28)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Microbial Surface Confined Growth Strategy for the Synthesis of Highly Loaded NiCoP Nanoparticles with Hollow Derived Carbon Shells for Sodium Ion Capture NiCoP is considered to be a very promising material for sodium ion (Na<sup>+</sup>) capturing, however, the volume expansion and poor cyclic stability of NiCoP during the storage limit its application. In response to these limitations, Finite element simulations are used to help in the rational design of the NiCoP structure. A novel microbial surface confined growth strategy is employed to synthesize highly loaded NiCoP nanoparticles (NiCoP NPs) supported on hollow derived carbon shells (NPC), constructing a stable composite structure known as NiCoP@NPC. The highly loaded and uniformly dispersed NiCoP NPs are anchored in-situ and fully exposed, enabling enhanced electron and ion transport efficiency and thereby boosting pseudocapacitance. The NPC from yeast played a crucial role in mitigating the volume expansion of NiCoP NPs, thereby enhancing the structural stability of the electrode. Consequently, NiCoP@NPC demonstrated a high Na<sup>+</sup> storage capacity of 59.70 ± 1.51 mg g<sup>-1</sup> at 1.6 V and maintained good cycling stability, retaining over 73.3% of its capacity after 80 cycles at 1.6 V. Scanning transmission X-ray microscopy (STXM) analysis confirmed the reversible conversion reaction mechanism and the robust structure of NiCoP@NPC before and after the reaction; Density function theory (DFT) and electrochemical quartz crystal microbalance (EQCM-D) further confirmed that the structural design of NiCoP@NPC promoted electron transport, Na<sup>+</sup> adsorption as well as improved cycling stability. This study is intended to provide a new idea for the in-situ confined synthesis of metal phosphides electrodes with stable performance and structure. Materials science ; Chemical engineering ; Adsorption ; Nanoparticle ; Electrochemistry ; Electrode ; Nanotechnology ; Chemistry ; Organic chemistry Supercapacitor Materials and Fabrication ; Advancements in Battery Materials ; Membrane-based Ion Separation Techniques
Authors: Alessandro Marchetti | Elisa Marelli | Greta Bergamaschi | Panu Lahtinen | Arja Paananen | Markus B. Linder | Claudia Pigliacelli | Pierangelo Metrangolo
Source: Journal of Materials Chemistry B (article, 2024-01-01)
Field: Materials Science — Biomaterials

Nanocellulose-short peptide self-assembly for improved mechanical strength and barrier performance Cellulose nanofibers (CNF) are the most abundant renewable nanoscale fibers on Earth, and their use in the design of hybrid materials is ever more acclaimed, although it has been mostly limited, to date, to CNF derivatives obtained <i>via</i> covalent functionalization. Herein, we propose a noncovalent approach employing a set of short peptides - DFNKF, DF(I)NKF, and DF(F<sub>5</sub>)NKF - as supramolecular additives to engineer hybrid hydrogels and films based on unfunctionalized CNF. Even at minimal concentrations (from 0.1% to 0.01% w/w), these peptides demonstrate a remarkable ability to enhance CNF rheological properties, increasing both dynamic moduli by more than an order of magnitude. Upon vacuum filtration of the hydrogels, we obtained CNF-peptide films with tailored hydrophobicity and surface wettability, modulated according to the peptide content and halogen type. Notably, the presence of fluorine in the CNF-DF(F<sub>5</sub>)NKF film, despite being minimal, strongly enhances CNF water vapor barrier properties and reduces the film water uptake. Overall, this approach offers a modular, straightforward method to create fully bio-based CNF-peptide materials, where the inclusion of DFNKF derivatives allows for facile functionalization and material property modulation, opening their potential use in the design of packaging solutions and biomedical devices. Nanocellulose ; Materials science ; Mechanical strength ; Nanotechnology ; Self-assembly ; Peptide ; Composite material ; Cellulose ; Chemical engineering ; Engineering ; Chemistry Advanced Cellulose Research Studies ; Biopolymer Synthesis and Applications ; Polydiacetylene-based materials and applications
Authors: Mohamed Abdelnaser Mansour | Kōichi Nakamura | Ahmed Abdelmoneim
Source: Journal of Materials Science Materials in Electronics (article, 2024-04-01)
Field: Materials Science — Materials Chemistry

Enhancing the thermoelectric properties for hot-isostatic-pressed Bi2Te3 nano-powder using graphite nanoparticles Abstract Bismuth telluride (Bi 2 Te 3 ) is a promising thermoelectric material produced commercially. However, its poor electrical conductivity and low figure of merit, caused by grain boundaries and high thermal conductivity, limit its effectiveness in powder metallurgy production. Herein, effects of adding Graphite nanoparticles (GTNPs) to Bi 2 Te 3 on thermoelectric properties were studied. Three ratios of GTNPs (0.2, 0.35, 0.5 wt%) were added to ball-milled Bi 2 Te 3 nano-powder. The hot isostatic pressing (HIP) sintering technique was employed to prepare the pristine Bi 2 Te 3 and the BT- x GTNPs samples for testing. The crystallographic measurements showed a reduction in the crystallinity of the BT- x GTNPs samples compared to the pure Bi 2 Te 3 , whereas the electron microscopy measurements showed smaller grain sizes. This was also confirmed with an increase in the samples’ relative density implying the formation of nano-sized grains. Full electrical, thermal, and thermoelectric measurements were performed and comprehensively discussed in this report for all samples in the temperature range from room temperature (RT) to 570 K. The measurements demonstrated an enhancement for x = 0.35 wt% GTNPs at 540 K up to 43% in the power factor and 51% in the ZT compared to pristine Bi 2 Te 3 , which was attributed to the optimum grain size, the lower grain boundaries, and better electrical and thermal conductivity aroused from the precise addition of GTNPs. The best electrical conductivity of ~ 8.2 × 10 4 S/m and lowest thermal conductivity of ~ 1 W/m·K for the Bi 2 Te 3 -containing 0.35 wt% GTNPs at RT even though the sample with 0.5 wt% attained the highest Seebeck coefficient of 154 µV/T at 540 K. Materials science ; Graphite ; Nanoparticle ; Thermoelectric effect ; Nano- ; Hot isostatic pressing ; Composite material ; Nanotechnology ; Metallurgy ; Sintering Advanced Thermoelectric Materials and Devices ; Advanced Thermodynamics and Statistical Mechanics ; Thermal properties of materials