jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Zijian Qin | Chao Qian | Lian Shen | Xiaoping Wang | Ido Kaminer | Hongsheng Chen | Huaping Wang
Source: National Science Review (article, 2022-11-10)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Superscattering of water waves Inspired by the concept of superscattering in optics, we for the first time theoretically predict and experimentally demonstrate the superscattering phenomenon in water waves. The subwavelength superscatterer is constructed by multi-layered concentric cylinders with an inhomogeneous depth profile. The superscatterer breaks the long-held single-channel scattering limit by several times and thus significantly enhances the total scattering strength. The underlying mechanism originates from the near degeneracy of the resonances of multiple channels. We fabricate the superscatterer prototype and experimentally measure the near-field patterns, which are consistent with theoretical prediction and numerical simulation. Our study opens a new avenue to strengthen water-wave scattering and deepen the understanding in water waves, which can be useful for ocean energy harvesting and harbor protection. Scattering ; Degeneracy (biology) ; Limit (mathematics) ; Physics ; Deep water ; Measure (data warehouse) ; Field (mathematics) ; Optics ; Rayleigh scattering ; Computational physics ; Geology ; Computer science ; Mathematics ; Oceanography ; Mathematical analysis Metamaterials and Metasurfaces Applications ; Energy Harvesting in Wireless Networks ; Advanced Antenna and Metasurface Technologies
Authors: Yugandhara Rao Yadam | R. Sarathi | Kavitha Arunachalam
Source: IEEE Access (article, 2022-01-01)
Field: Materials Science — Materials Chemistry

Planar Ultrawideband Circularly Polarized Cosine Slot Archimedean Spiral Antenna for Partial Discharge Detection Design and experimental verification of an ultrawideband planar circularly polarized ultrahigh frequency (UHF) sensor is presented for detection of partial discharge (PD) activities in high voltage (HV) equipment. The proposed sensor is cavity-backed cosine slot Archimedean spiral (CSAS) antenna with an electromagnetic (EM) transparent radome. The dual-arm slot spiral was meandered as cosine wave for size reduction and optimized for broadband operation with circular polarization (CP) over 0.5-5 GHz. Unidirectional radiation pattern with CP was achieved over 0.5-5 GHz using an optimized cavity loaded with EM absorber. The fabricated UHF CSAS sensor has the widest operating bandwidth of 0.5-5 GHz with circular polarization and the smallest aperture of <inline-formula xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink"> <tex-math notation="LaTeX">$0.26\lambda {}_{L}$ </tex-math></inline-formula> when compared to the existing UHF PD sensors, where <inline-formula xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink"> <tex-math notation="LaTeX">$\lambda {}_{L}$ </tex-math></inline-formula> is the wavelength at the lowest operating frequency. Time domain incipient discharge signals and phase resolved PD patterns gathered for three commonly occurring defects in test cells mimicking gas insulated switchgear (GIS) indicate better sensitivity and detection capability for the fabricated CSAS UHF sensor than the reference PD sensor. PD signal measurements and comparison with other UHF PD sensors indicate that the proposed UHF CSAS sensor could be used for PD detection in HV equipment. Ultra high frequency ; Partial discharge ; Physics ; Slot antenna ; Planar ; Logarithmic spiral ; Radome ; Optics ; Turnstile antenna ; Circular polarization ; Microstrip antenna ; Electrical engineering ; Acoustics ; Computer science ; Antenna (radio) ; Voltage ; Engineering ; Mathematics ; Microstrip ; Geometry High voltage insulation and dielectric phenomena ; Electrostatic Discharge in Electronics ; Dielectric materials and actuators
Authors: Dengpan Wang | Kaiyue Liu | Xiaofeng Li | Guangming Wang | Shiwei Tang | Tong Cai
Source: Nanophotonics (article, 2022-02-01)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Bifunctional spoof surface plasmon polariton meta‐coupler using anisotropic transmissive metasurface Tailoring the wavefronts of spoof surface plasmon polaritons (SSPPs) at will, especially with multifunctional integration, is of great importance in near-field photonics. However, conventional SSPP devices suffer from the issues of bulk configurations, limited functionalities, and single operating modes, which are unfavorable for electromagnetic (EM) integration. Here, a novel scheme is proposed to design bifunctional SSPP meta-devices based on the polarization dependent property via satisfying the comprehensive phase distributions and multi-mode momentum matching in a transmission geometry. As proof of the concept, we experimentally demonstrate a bifunctional SSPP meta-device in the microwave regime that can convert incident <i>x</i>- and <i>y</i>-polarized waves to transverse magnetic (TM)-mode SSPP Bessel beams and transverse electric (TE)-mode SSPP focusing beams, respectively. Our findings open a door to achieve near-field manipulation of SSPPs with multi-function and multi-mode integration, which can stimulate the applications of SSPP functional devices, such as near-field sensing, imaging, and on-chip photonics. Bifunctional ; Surface plasmon polariton ; Plasmon ; Surface plasmon ; Materials science ; Nanomaterials ; Optoelectronics ; Anisotropy ; Surface plasmon resonance ; Localized surface plasmon ; Polariton ; Nanotechnology ; Optics ; Nanoparticle ; Physics ; Chemistry ; Catalysis Metamaterials and Metasurfaces Applications ; Plasmonic and Surface Plasmon Research ; Photonic Crystals and Applications
Authors: Ryuichi Narikawa | Yoshihito Fukatsu | Zhilei Wang | Toshio Ogawa | Yoshitaka Adachi | Yuji Tanaka | Shin Ishikawa
Source: Advanced Theory and Simulations (article, 2022-02-20)
Field: Materials Science — Materials Chemistry

Generative Adversarial Networks‐Based Synthetic Microstructures for Data‐Driven Materials Design Abstract To understand the material paradigm, data‐driven material design necessitates both microstructural input and output in the form of visual images. Therefore, generative adversarial networks (GAN)‐based deep convolutional GAN, cycle‐consistent GAN, and super‐resolution GAN techniques are used to generate, translate, and improve the quality of microstructural images in this study. The reconstructed virtual microstructural images are realistic and indistinguishable from the real ones. Furthermore, using GAN techniques to reconstruct microstructural image suggests promising ways to design desired microstructures using parameterized descriptors and image augmentation, which are expected to advance data‐driven materials research. Generative grammar ; Parameterized complexity ; Adversarial system ; Computer science ; Generative adversarial network ; Data-driven ; Artificial intelligence ; Image (mathematics) ; Deep learning ; Generative Design ; Algorithm ; Materials science Machine Learning in Materials Science ; Advanced Electron Microscopy Techniques and Applications ; Image Processing Techniques and Applications
Authors: Nirbhai Singh | Saurabh Yadav | S.K. Mehta | Abhijit Dan
Source: Journal of Macromolecular Science Part A (article, 2022-01-24)
Field: Materials Science — Biomaterials

<i>In situ</i> incorporation of magnetic nanoparticles within the carboxymethyl cellulose hydrogels enables dye removal Herein, we report a novel approach for the synthesis of magnetic nanoparticle (Fe3O4) incorporated carboxymethyl cellulose (CMC) hydrogel nanocomposites (CMC-Fe3O4) that involves in-situ mineralization of Fe2+/Fe3+ ions in a hydrogel network. In this protocol, first, pure CMC hydrogel was prepared using citric acid as a cross-linker. Subsequently, the Fe3O4 nanoparticles were allowed to form inside the hydrogel matrix by a co-precipitation method. The resulting materials were characterized by various physical techniques, viz., Fourier transform infrared (FTIR) spectra, X-ray diffraction (XRD), thermal gravimetric analysis (TGA), vibrating sample magnetometry (VSM), scanning electron microscopy (SEM), transmission electron microscopy (TEM) and Brunauer–Emmett–Teller (BET) analysis. We find that this strategy offered unique characteristic features, including morphology and structural order of the nanocomposites. We further explored the feasibility of using the prepared materials in the clearance of methylene blue (MB) from aqueous solution making the use of magnetic property of the nanocomposites. The adsorption kinetics followed the pseudo-second-order and the intraparticle diffusion models. The equilibrium adsorption capacity could be explained by the Freundlich and Halsey models, indicating heterogeneous adsorption with a multilayer coverage of the dyes. The nanocomposites maintained their high adsorption capacity after five successive cycles, thus providing an excellent cost-effective material for dye removal. Materials science ; Carboxymethyl cellulose ; Thermogravimetric analysis ; Nanocomposite ; Chemical engineering ; Adsorption ; Superparamagnetism ; Fourier transform infrared spectroscopy ; Aqueous solution ; Freundlich equation ; Transmission electron microscopy ; Nanoparticle ; Nuclear chemistry ; Magnetization ; Nanotechnology ; Chemistry ; Organic chemistry Nanoparticle-Based Drug Delivery ; Adsorption and biosorption for pollutant removal ; Hydrogels: synthesis, properties, applications
Authors: Wujie Wang | Minkai Xu | Cai Chen | B. Miller | Tess Smidt | Yusu Wang | Jian Tang | Rafael Gómez‐Bombarelli
Source: arXiv (Cornell University) (preprint, 2022-01-28)
Field: Materials Science — Materials Chemistry

Generative Coarse-Graining of Molecular Conformations Coarse-graining (CG) of molecular simulations simplifies the particle representation by grouping selected atoms into pseudo-beads and drastically accelerates simulation. However, such CG procedure induces information losses, which makes accurate backmapping, i.e., restoring fine-grained (FG) coordinates from CG coordinates, a long-standing challenge. Inspired by the recent progress in generative models and equivariant networks, we propose a novel model that rigorously embeds the vital probabilistic nature and geometric consistency requirements of the backmapping transformation. Our model encodes the FG uncertainties into an invariant latent space and decodes them back to FG geometries via equivariant convolutions. To standardize the evaluation of this domain, we provide three comprehensive benchmarks based on molecular dynamics trajectories. Experiments show that our approach always recovers more realistic structures and outperforms existing data-driven methods with a significant margin. Granularity ; Computer science ; Equivariant map ; Representation (politics) ; Invariant (physics) ; Algorithm ; Consistency (knowledge bases) ; Generative grammar ; Generative model ; Probabilistic logic ; Theoretical computer science ; Artificial intelligence ; Topology (electrical circuits) ; Mathematics ; Pure mathematics Machine Learning in Materials Science ; Topic Modeling ; Tensor decomposition and applications
Authors: Fei Gao | Xinru Xu | Jingyi Yang
Source: RSC Advances (article, 2022-01-01)
Field: Materials Science — Materials Chemistry

Removal of <i>p</i>-nitrophenol from simulated sewage using MgCo-3D hydrotalcite nanospheres: capability and mechanism 4-Nitrophenol (4-NP) is an organic pollutant found in the wastewater discharged from coking and petrochemical industries, and it is highly toxic, persistent, and bioaccumulative. 4-NP is difficult to degrade and causes serious damage to human health and the ecological environment. In this study, MgCo-3D hydrotalcite nanospheres were synthesized <i>via</i> the hot solvent method using ZIF-67 as a template for 4-NP removal from wastewater. The composition and structure of MgCo-3D hydrotalcite nanospheres were characterized <i>via</i> X-ray diffraction (XRD), Scanning electron microscope (SEM), Transmission Electron Microscope (TEM), Fourier-transform infrared spectroscopy (FT-IR), X-ray photoelectron spectroscopy (XPS), Energy Dispersive Spectroscopy (EDS), and BET analyses. The maximum adsorption capacity was 131.59 mg g<sup>-1</sup> under the optimized conditions (pH = 7, <i>t</i> = 298 K, <i>C</i> <sub>0</sub> = 50 mg L<sup>-1</sup>, dose = 0.4 g L<sup>-1</sup>). The adsorption obeyed the Langmuir, Redlich-Peterson and Sips models and pseudo-second-order kinetics, and the adsorption activation energy was 29.4 kJ mol<sup>-1</sup>, indicating a monolayer physical adsorption phenomenon. The adsorption of 4-NP on the MgCo-3D hydrotalcite nanospheres mainly involved hydrogen bonding and electrostatic interactions. The nanospheres were regenerated using the hot-air purging method. After five adsorption-desorption cycles, the adsorption capacity reached 107.6 mg g<sup>-1</sup>, indicating the good regeneration performance of the MgCo-3D hydrotalcite nanospheres. Hydrotalcite ; Adsorption ; Chemistry ; Nitrophenol ; Chemical engineering ; Organic chemistry ; Catalysis Layered Double Hydroxides Synthesis and Applications ; Adsorption and biosorption for pollutant removal ; Phosphorus and nutrient management
Authors: Anatoliy A. Vereshchagin | Arseniy Y. Kalnin | Alexey I. Volkov | Daniil A. Lukyanov | Oleg V. Levin
Source: Energies (article, 2022-04-06)
Field: Materials Science — Polymers and Plastics

Key Features of TEMPO-Containing Polymers for Energy Storage and Catalytic Systems The need for environmentally benign portable energy storage drives research on organic batteries and catalytic systems. These systems are a promising replacement for commonly used energy storage devices that rely on limited resources such as lithium and rare earth metals. The redox-active TEMPO (2,2,6,6-tetramethylpiperidin-1-oxyl-4-yl) fragment is a popular component of organic systems, as its benefits include remarkable electrochemical performance and decent physical properties. TEMPO is also known to be an efficient catalyst for alcohol oxidation, oxygen reduction, and various complex organic reactions. It can be attached to various aliphatic and conductive polymers to form high-loading catalysis systems. The performance and efficiency of TEMPO-containing materials strongly depend on the molecular structure, and thus rational design of such compounds is vital for successful implementation. We discuss synthetic approaches for producing electroactive polymers based on conductive and non-conductive backbones with organic radical substituents, fundamental aspects of electrochemistry of such materials, and their application in energy storage devices, such as batteries, redox-flow cells, and electrocatalytic systems. We compare the performance of the materials with different architectures, providing an overview of diverse charge interactions for hybrid materials, and presenting promising research opportunities for the future of this area. Energy storage ; Catalysis ; Nanotechnology ; Redox ; Electrochemistry ; Conductive polymer ; Lithium (medication) ; Electrochemical energy storage ; Electrochemical energy conversion ; Electrical conductor ; Materials science ; Metal-organic framework ; Polymer ; Computer science ; Chemistry ; Electrode ; Organic chemistry ; Supercapacitor ; Power (physics) Conducting polymers and applications ; Polyoxometalates: Synthesis and Applications ; Electrochemical Analysis and Applications
Authors: Paula Andrade‐Sampedro | Jon M. Matxain | Arkaitz Correa
Source: Advanced Synthesis & Catalysis (article, 2022-05-05)
Field: Chemistry — Organic Chemistry

Ru‐Catalyzed C−H Hydroxylation of Tyrosine‐Containing Di‐ and Tripeptides toward the Assembly of L‐DOPA Derivatives Abstract The development of catalytic tools for the late‐stage modification of amino acids within a peptide framework is a challenging task of capital importance. Herein, we report a Ru‐catalyzed C( sp 2 )−H hydroxylation of a collection of Tyr‐containing di‐ and tripeptides featuring the use of a carbamate as a removable directing group and PhI(OCOCF 3 ) 2 (PIFA) as oxidant. This air‐compatible tagging technique is reliable, scalable and provides access to L‐DOPA (L‐3,4‐dihydroxyphenylalanine) peptidomimetics in a racemization‐free fashion. Density Functional Theory calculations support a Ru(II)/Ru(IV) catalytic cycle. magnified image Chemistry ; Tripeptide ; Hydroxylation ; Catalysis ; Peptidomimetic ; Racemization ; Amino acid ; Combinatorial chemistry ; Ruthenium ; Stereochemistry ; Peptide ; Organic chemistry ; Biochemistry ; Enzyme Catalytic C–H Functionalization Methods ; Synthesis and Catalytic Reactions ; Sulfur-Based Synthesis Techniques
Authors: Héctor Hernández‐Parra | Hernán Cortés | José Arturo Ávalos‐Fuentes | Marí­a Luisa Del Prado-Audelo | Benjamí­n Florán | Gerardo Leyva‐Gómez | Javad Sharifi‐Rad | William C. Cho
Source: Journal of Nanobiotechnology (review, 2022-09-15)
Field: Materials Science — Biomaterials

Repositioning of drugs for Parkinson’s disease and pharmaceutical nanotechnology tools for their optimization Parkinson's disease (PD) significantly affects patients' quality of life and represents a high economic burden for health systems. Given the lack of safe and effective treatments for PD, drug repositioning seeks to offer new medication alternatives, reducing research time and costs compared to the traditional drug development strategy. This review aimed to collect evidence of drugs proposed as candidates to be reused in PD and identify those with the potential to be reformulated into nanocarriers to optimize future repositioning trials. We conducted a detailed search in PubMed, Web of Science, and Scopus from January 2015 at the end of 2021, with the descriptors "Parkinson's disease" and "drug repositioning" or "drug repurposing". We identified 28 drugs as potential candidates, and six of them were found in repositioning clinical trials for PD. However, a limitation of many of these drugs to achieve therapeutic success is their inability to cross the blood-brain barrier (BBB), as is the case with nilotinib, which has shown promising outcomes in clinical trials. We suggest reformulating these drugs in biodegradable nanoparticles (NPs) based on lipids and polymers to perform future trials. As a complementary strategy, we propose functionalizing the NPs surface by adding materials to the surface layer. Among other advantages, functionalization can promote efficient crossing through the BBB and improve the affinity of NPs towards certain brain regions. The main parameters to consider for the design of NPs targeting the central nervous system are highlighted, such as size, PDI, morphology, drug load, and Z potential. Finally, current advances in the use of NPs for Parkinson's disease are cited. Drug repositioning ; Nanocarriers ; Repurposing ; Clinical trial ; Medicine ; Drug ; Disease ; Nanotechnology ; Pharmacology ; Intensive care medicine ; Materials science ; Engineering ; Internal medicine Nanoparticle-Based Drug Delivery ; Pharmaceutical studies and practices ; Advanced Drug Delivery Systems
Authors: Pier Luigi Gentili
Source: Dyes and Pigments (article, 2022-07-02)
Field: Materials Science — Materials Chemistry

Photochromic and luminescent materials for the development of Chemical Artificial Intelligence Photochromism ; Computer science ; Artificial neuron ; Luminescence ; Artificial life ; Artificial neural network ; Artificial intelligence ; Nanotechnology ; Materials science Photochromic and Fluorescence Chemistry ; Polyoxometalates: Synthesis and Applications ; Olfactory and Sensory Function Studies
Authors: Gbolahan Joseph Adekoya | Oluwasegun Chijioke Adekoya | Ugonna Kingsley Ugo | Emmanuel Rotimi Sadiku | Yskandar Hamam | Suprakas Sinha Ray
Source: Materials Today Proceedings (article, 2022-01-01)
Field: Materials Science — Electronic, Optical and Magnetic Materials

A mini-review of artificial intelligence techniques for predicting the performance of supercapacitors Supercapacitors are used to store and release electrical charges like batteries and conventional capacitors. Unlike conventional capacitors, they have higher capacitance and power density, and they charge faster than batteries can. Supercapacitors are mainly classified as hybrid supercapacitors, pseudocapacitors, and electrochemical double-layer capacitors. To predict the application behaviour and optimization of supercapacitors, artificial intelligence, specifically machine language is utilized more recently. Models based on artificial intelligence are less complicated and maybe accurate enough. This paper identifies machine language models that have been employed to predict the supercapacitors’ performance. Supercapacitor ; Pseudocapacitor ; Capacitor ; Capacitance ; Computer science ; Electrical engineering ; Engineering ; Voltage ; Chemistry ; Electrode Supercapacitor Materials and Fabrication ; Electric and Hybrid Vehicle Technologies ; Fuel Cells and Related Materials
Authors: Hiroki Yamada | Kengo Nakada | Michitaka Takemoto | Koji Ohara
Source: Journal of Synchrotron Radiation (article, 2022-01-18)
Field: Materials Science — Materials Chemistry

Fully automated measurement system for temperature-dependent X-ray total scattering at beamline BL04B2 at SPring-8 Data-driven approaches in materials science demand the collection of large amounts of data on the target materials at synchrotron beamlines. To accurately gather suitable experimental data, it is essential to establish fully automated measurement systems to reduce the workload of the beamline staff. Moreover, the recent COVID-19 pandemic has further emphasized the necessity of automated and/or remote measurements at synchrotron beamlines. Here, the installation of a new sample changer combined with a high-temperature furnace and a fully automated alignment system on beamline BL04B2 at SPring-8 is reported. The system allows X-ray total scattering measurements of up to 21 samples at different temperatures (from room temperature to 1200°C) to be conducted without any human assistance. Beamline ; Synchrotron ; System of measurement ; Sample (material) ; Scattering ; Synchrotron radiation Enzyme Structure and Function ; X-ray Diffraction in Crystallography ; Crystallography and Radiation Phenomena
Authors: Huiyu Liu | Xiaotong Xing | Yan Tan | Haifeng Dong
Source: Nanophotonics (review, 2022-11-11)
Field: Materials Science — Materials Chemistry

Two‐dimensional transition metal carbides and nitrides (MXenes) based biosensing and molecular imaging As a "star material", 2D transition metal carbides and/or nitrides (MXenes) have tremendous potential applications in biosensor development and molecular imaging. MXenes have a lot of advantages due to their large specific surface, excellent electrical conductivity, adjustable band gap, and easy modification. MXenes that immobilized with DNA strands, proteins, enzymes, or other bioluminescent materials on the surface, have been used to measure small molecules with extraordinary sensitivity and remarkable limit of detection. This review provides an overview of most recent development in the synthesis, fundamental properties, biosensing, and molecular imaging applications of MXenes. We focused on molecular detection through MXene-based electrochemical properties their challenges and novel opportunities of MXenes in biological applications. This article will provide a guide for researchers who are interested in the application of MXenes biosensors. MXenes ; Carbide ; Materials science ; Nitride ; Nanomaterials ; Nanotechnology ; Transition metal ; Chemistry ; Metallurgy MXene and MAX Phase Materials ; 2D Materials and Applications ; Graphene and Nanomaterials Applications