jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Xiaoli Jing | Yao Li | Junjie Li | Yongtian Wang | Lingling Huang
Source: Nanophotonics (article, 2023-04-04)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Active 3D positioning and imaging modulated by single fringe projection with compact metasurface device Three-dimensional (3D) information is vital for providing detailed features of the physical world, which is used in numerous applications such as industrial inspection, automatic navigation and identity authentication. However, the implementations of 3D imagers always rely on bulky optics. Metasurfaces, as the next-generation optics, shows flexible modulation abilities and excellent performance combined with computer vision algorithm. Here, we demonstrate an active 3D positioning and imaging method with large field of view (FOV) by single fringe projection based on metasurface and solve the accurate and robust calibration problem with the depth uncertainty of 4 μm. With a compact metasurface projector, the demonstrated method can achieve submillimeter positioning accuracy under the FOV of 88°, offering robust and fast 3D reconstruction of the texture-less scene due to the modulation characteristic of the fringe. Such scheme may accelerate prosperous engineering applications with the continued growth of flat-optics manufacturing process by using metadevices. Projection (relational algebra) ; Optics ; Nanomaterials ; Materials science ; Optoelectronics ; Computer science ; Physics ; Nanotechnology Metamaterials and Metasurfaces Applications ; Advanced Antenna and Metasurface Technologies ; Advanced Optical Imaging Technologies
Authors: Mohammad R. Kayes | Supriyo Saha | Mohammed M. Alanazi | Yasuhiro Ozeki | Dilipkumar Pal | Taïbi Ben Hadda | Abdelkhaleq Legssyer | Sarkar M. A. Kawsar
Source: Saudi Pharmaceutical Journal (article, 2023-10-02)
Field: Chemistry — Organic Chemistry

Macromolecules: Synthesis, antimicrobial, POM analysis and computational approaches of some glucoside derivatives bearing acyl moieties Macromolecules i.e., carbohydrate derivatives are crucial to biochemical and medical research. Herein, we designed and synthesized eight methyl α-D-glucopyranoside (MGP) derivatives (<b>2</b>-<b>8</b>) in good yields following the regioselective direct acylation method. The structural configurations of the synthesized MGP derivatives were analyzed and verified using multiple physicochemical and spectroscopic techniques. Antimicrobial experiments revealed that almost all derivatives demonstrated noticeable antifungal and antibacterial efficacy. The synthesized derivatives showed minimum inhibitory concentration (MIC) values ranging from 0.75 µg/mL to 1.50 µg/mL and minimum bactericidal concentrations (MBCs) ranging from 8.00 µg/mL to 16.00 µg/mL. Compound <b>6</b> inhibited Ehrlich ascites carcinoma (EAC) cell proliferation by 10.36% with an IC50 of 2602.23 μg/mL in the MTT colorimetric assay. The obtained results were further rationalized by docking analysis of the synthesized derivatives against 4URO and 4XE3 receptors to explore the binding affinities and nonbonding interactions of MGP derivatives with target proteins. Compound <b>6</b> demonstrated the potential to bind with the target with the highest binding energy. In a stimulating environment, a molecular dynamics study showed that MGP derivatives have a stable conformation and binding pattern. The MGP derivatives were examined using POM (Petra/Osiris/Molinspiration) bioinformatics, and as a result, these derivatives showed good toxicity, bioavailability, and pharmacokinetics. Various antifungal/antiviral pharmacophore (O<sup>δ-</sup>, O'<sup>δ-</sup>) sites were identified by using POM investigations, and compound <b>6</b> was further tested against other pathogenic fungi and viruses, such as Micron and Delta mutants of SARS-CoV-2. Chemistry ; Antimicrobial ; Pharmacophore ; Docking (animal) ; Stereochemistry ; Acylation ; Biochemistry ; Organic chemistry Carbohydrate Chemistry and Synthesis ; Bioactive Compounds and Antitumor Agents ; Synthesis and biological activity
Authors: Xinyu Wang | Ruru Bai
Source: Drug Delivery (review, 2023-09-13)
Field: Materials Science — Biomaterials

Advances in smart delivery of magnetic field-targeted drugs in cardiovascular diseases Magnetic Drug Targeting (MDT) is of particular interest to researchers because of its good loading efficiency, targeting accuracy, and versatile use in vivo. Cardiovascular Disease (CVD) is a global chronic disease with a high mortality rate, and the development of more precise and effective treatments is imminent. A growing number of studies have begun to explore the feasibility of MDT in CVD, but an up-to-date systematic summary is still lacking. This review discusses the current research status of MDT from guiding magnetic fields, magnetic nanocarriers, delivery channels, drug release control, and safety assessment. The current application status of MDT in CVD is also critically introduced. On this basis, new insights into the existing problems and future optimization directions of MDT are further highlighted. Nanocarriers ; Targeted drug delivery ; Drug delivery ; Risk analysis (engineering) ; Disease ; Medicine ; Intensive care medicine ; Nanotechnology ; Computer science ; Materials science ; Pathology Nanoparticle-Based Drug Delivery ; Electrohydrodynamics and Fluid Dynamics ; Characterization and Applications of Magnetic Nanoparticles
Authors: José Leal | Sebastian Shaner | L Matter | Christian Böhler | Maria Asplund
Source: Advanced Materials Interfaces (article, 2023-02-12)
Field: Materials Science — Polymers and Plastics

Guide to Leveraging Conducting Polymers and Hydrogels for Direct Current Stimulation Abstract The tunable electrical properties of conducting polymers (CPs), their biocompatibility, fabrication versatility, and cost‐efficiency make them an ideal coating material for stimulation electrodes in biomedical applications. Several biological processes like wound healing, neuronal regrowth, and cancer metastasis, which rely on constant electric fields, demand electrodes capable of delivering direct current stimulation (DCs) for long times without developing toxic electrochemical reactions. Recently, CPs such as poly(3,4‐ethylenedioxythiophene) polystyrene sulfonate (PEDOT/PSS) have demonstrated outstanding capability for delivering DCs without damaging cells in culture while not requiring intermediate buffers, contrary to the current research setups relying on noble‐metals and buffering bridges. However, clear understanding of how electrode design and CP synthesis influence DCs properties of these materials has not been provided until now. This study demonstrates that various PEDOT‐based CP coatings and hydrogels on rough electrodes can deliver DCs without substantial changes to the electrode and the noticeable development of chemical by‐products depending on the electrode area and polymer thickness. A comprehensive analysis of the tested coatings is provided according to the desired application and available resources, alongside a proposed explanation for the observed electrochemical behavior. The CPs tested herein can pave the way toward the widespread implementation of DCs as a therapeutic stimulation paradigm. PEDOT:PSS ; Materials science ; Polystyrene sulfonate ; Electrode ; Nanotechnology ; Biocompatibility ; Conductive polymer ; Coating ; Self-healing hydrogels ; Polymer ; Electrochemistry ; Fabrication ; Polystyrene ; Composite material ; Polymer chemistry ; Chemistry Conducting polymers and applications ; Neuroscience and Neural Engineering ; Advanced Sensor and Energy Harvesting Materials
Authors: Huanxiang Yuan | Yutong Li | Jiaqi Lv | Yunhe An | Di Guan | Jia Liu | Chenxiao Tu | Xiaoyu Wang | Huijuan Zhou
Source: Molecules (review, 2023-07-24)
Field: Materials Science — Materials Chemistry

Recent Advances in Fluorescent Nanoprobes for Food Safety Detection Fluorescent nanoprobes show similar fluorescence properties to traditional organic dyes, but the addition of nanotechnology accurately controls the size, shape, chemical composition, and surface chemistry of the nanoprobes with unique characteristics and properties, such as bright luminescence, high photostability, and strong biocompatibility. For example, modifying aptamers or antibodies on a fluorescent nanoprobe provides high selectivity and specificity for different objects to be tested. Fluorescence intensity, life, and other parameters of targets can be changed by different sensing mechanisms based on the unique structural and optical characteristics of fluorescent nanoprobes. What's more, the detection of fluorescent nanoprobes is cost-saving, simple, and offers great advantages in rapid food detection. Sensing mechanisms of fluorescent nanoprobes were introduced in this paper, focusing on the application progress in pesticide residues, veterinary drug residues, heavy metals, microbes, mycotoxins, and other substances in food safety detection in recent years. A brief outlook for future development was provided as well. Food safety ; Fluorescence ; Nanotechnology ; Risk analysis (engineering) ; Computer science ; Business ; Chemistry ; Materials science ; Food science ; Physics Carbon and Quantum Dots Applications ; Advanced biosensing and bioanalysis techniques
Authors: Yuan Yue | Jiawei Dai | Liuyang Jin | Cheng Liu | Jingbo Sun | Kaiqi Ye | Ran Lu
Source: Chemistry - A European Journal (article, 2023-06-14)
Field: Materials Science — Materials Chemistry

The Factor beyond Schmidt's Criteria Impacting the Photo‐Induced [2+2] Cycloaddition Reactivity and Photoactuation of Molecular Crystals Based on Cyclic Chalcone Analogues Generally, the potential reactive "olefin pairs" in the molecular crystals satisfying Schmidt's criteria could undergo topological [2+2] cycloaddition. In this study, another factor that affects the photodimerization reactivity of chalcone analogues was found. The cyclic chalcone analogues of (E)-2-(2,4-dichlorobenzylidene)-2,3-dihydro-1H-inden-1-one (BIO), (E)-2-(naphthalen-2-ylmethylene)-2,3-dihydro-1H-inden-1-one (NIO), (Z)-2-(2,4-dichlorobenzylidene)benzofuran-3(2H)-one (BFO), and (Z)-2-(2,4-dichlorobenzylidene)benzo[b]thiophen-3(2H)-one (BTO) have been synthesized. While the geometrical parameters for the molecular packing of the above four compounds did not exceed Schmidt's criteria, [2+2] cycloaddition did not occur in the crystals of BIO and BTO. The single crystal structures and Hirshfeld surface analyses revealed that interactions of C=O⋅⋅⋅H (CH<sub>2</sub> ) existed between adjacent molecules in the crystal of BIO. Therefore, the carbonyl and methylene groups linked with one carbon atom in carbon-carbon double bond were tightly confined in the lattice, acting as a tweezer to inhibit free movement of the double bond and suppressing [2+2] cycloaddition. In the crystal of BTO, similar interactions of Cl⋅⋅⋅S and C=O⋅⋅⋅H (C<sub>6</sub> H<sub>4</sub> ) prevented free movement of the double bond. In contrast, the intermolecular interaction of C=O⋅⋅⋅H only exists around the carbonyl group in the crystals of BFO and NIO, leaving the C=C double bonds to move freely and allowing the occurrence of [2+2] cycloaddition. Driven by photodimerization, the needle-like crystals of BFO and NIO displayed evident photo-induced bending behavior. This work demonstrates that the intermolecular interactions around carbon-carbon double bond affect the [2+2] cycloaddition reactivity except for Schmidt's criteria. These findings provide valuable insights into the design of photomechanical molecular crystalline materials. Cycloaddition ; Chalcone ; Chemistry ; Double bond ; Intermolecular force ; Crystal (programming language) ; Reactivity (psychology) ; Crystal structure ; Stereochemistry ; Molecule ; Crystallography ; Polymer chemistry ; Organic chemistry ; Catalysis Photochromic and Fluorescence Chemistry ; Organic Chemistry Cycloaddition Reactions ; Click Chemistry and Applications
Authors: Taeyeong Kim | Jungchul Lee
Source: Micro and Nano Systems Letters (article, 2023-11-23)
Field: Materials Science — Materials Chemistry

Silicon nanoparticles: fabrication, characterization, application and perspectives Abstract Silicon nanoparticles have emerged as pivotal components in nanoscience and nanoengineering due to their inherent characteristics such as high energy capacity and outstanding optical properties. Numerous fabrication and characterization techniques have been researched so far, while a range of applications utilizing them have been developed. In this review, we aim to provide a brief overview of the distinct and representative fabrication methods of silicon nanoparticles, including top-down, bottom-up, and reduction approaches. Then, we look into various characterization techniques essential for assessing and ensuring quality and performance of fabricated silicon nanoparticles. In addition, we provide insights for silicon nanoparticle technology towards further advancements. Nanoengineering ; Fabrication ; Characterization (materials science) ; Nanotechnology ; Silicon ; Nanoparticle ; Materials science ; Optoelectronics Silicon Nanostructures and Photoluminescence ; Semiconductor materials and devices ; Nanowire Synthesis and Applications
Authors: Antonio J. Santos | Nicolas Martin | J. Outón | E. Blanco | R. Garcı́a | Francisco M. Morales
Source: Energy and Buildings (article, 2023-02-15)
Field: Materials Science — Polymers and Plastics

A simple two-step approach to the fabrication of VO2-based coatings with unique thermochromic features for energy-efficient smart glazing Vanadium dioxide (VO2) is considered as one of the most promising materials for the next generation of energy-efficient smart glazing since it experiments a reversible metal-to-insulator transition at near room temperature. Nevertheless, the complexity and high cost associated to the fabrication of VO2-based nanostructures limit the transfer of this technology to the industrial scale. Aware of this opportunity, we present a simple and advantageous method for the fabrication of VO2 coatings on glass substrates which comprises the initial sputtering of vanadium thin films at glancing angles and the subsequent very fast oxidation of such systems in open air atmosphere. Relying on the accurate control of the thermal treatment parameters, as well as the enhanced reactivity of the high surface-to-volume porous deposited structures, thermochromic VO2 coatings were achieved and then characterized by means of scanning electron microscopy, grazing incidence X-ray diffraction, variable temperature UV-vis-NIR spectrophotometry, and resistivity measurements. These investigations allowed us to determine the key role that oxidation temperatures and times not only play in modulating the optical performance of the film, but also in the surprising and advantageous decrease in the transition temperature (up to 12 °C lower than the standard value for pure VO2), which is attained without incorporating doping agents. This fact, together with the remarkable values of luminous transmittance (∼50 %) and solar modulation ability (5–10 %) accomplished for our best samples, opens up an alternative and simpler pathway towards the large-scale manufacturing of VO2 coatings for smart window applications, reaching, on a preliminary basis, similar or even better performances than those obtained so far for single and undoped VO2 films. Glazing ; Materials science ; Fabrication ; Transmittance ; Thermochromism ; Thin film ; Sputtering ; Optoelectronics ; Nanotechnology ; Optics ; Composite material ; Chemistry Transition Metal Oxide Nanomaterials ; Ga2O3 and related materials ; ZnO doping and properties
Authors: Timo Rheinberger | Oscar Rabaux | Christine Jérôme | Frederik R. Wurm
Source: European Polymer Journal (article, 2023-09-29)
Field: Materials Science — Biomaterials

The future of polyphosphoesters Biocompatible material ; Monomer ; Branching (polymer chemistry) ; Nanotechnology ; Materials science ; Polymer science ; Functional diversity ; Polymer ; Biochemical engineering ; Biomedical engineering ; Engineering ; Biology ; Composite material biodegradable polymer synthesis and properties ; Flame retardant materials and properties ; Synthetic Organic Chemistry Methods
Authors: Fabian Weick | Nina Hagmeyer | M. Giraud | Benjamin Dietzek‐Ivanšić | Hans‐Achim Wagenknecht
Source: Chemistry - A European Journal (article, 2023-08-17)
Field: Chemistry — Organic Chemistry

Reductive Activation of Aryl Chlorides by Tuning the Radical Cation Properties of <i>N</i>‐Phenylphenothiazines as Organophotoredox Catalysts Aryl chlorides as substrates for arylations present a particular challenge for photoredox catalytic activation due to their strong C(sp<sup>2</sup> )-Cl bond and their strong reduction potential. Electron-rich N-phenylphenothiazines, as organophotoredox catalysts, are capable of cleaving aryl chlorides simply by photoinduced electron transfer without the need for an additional electrochemical activation setup or any other advanced photocatalysis technique. Due to the extremely strong reduction potential in the excited state of the N-phenylphenothiazines the substrate scope is high and includes aryl chlorides both with electron-withdrawing and electron-donating substituents. We evidence this reactivity for photocatalytic borylations and phosphonylations. Advanced time-resolved transient absorption spectroscopy in combination with electrochemistry was the key to elucidating and comparing the unusual photophysical properties not only of the N-phenylphenothiazines, but also of their cation radicals as the central intermediates in the photocatalytic cycle. The revealed photophysics allowed the excited-state and radical-cation properties to be fine-tuned by the molecular design of the N-phenylphenothiazines; this improved the photocatalytic activity. Photochemistry ; Photocatalysis ; Aryl ; Chemistry ; Catalysis ; Reactivity (psychology) ; Aryl radical ; Catalytic cycle ; Electron transfer ; Photoredox catalysis ; Electrochemistry ; Excited state ; Radical ; Substrate (aquarium) ; Radical ion ; Combinatorial chemistry ; Organic chemistry ; Ion ; Physical chemistry Radical Photochemical Reactions ; Sulfur-Based Synthesis Techniques ; Catalytic C–H Functionalization Methods
Authors: Yongwoo Lee | Alejandro Carnicer‐Lombarte | Sanggil Han | Ben J. Woodington | Seungjin Chai | Anastasios G. Polyravas | Santiago Velasco‐Bosom | Eunhee Kim | George G. Malliaras | Sungjune Jung
Source: Advanced Materials (article, 2023-05-22)
Field: Materials Science — Polymers and Plastics

Tunable Organic Active Neural Probe Enabling Near‐Sensor Signal Processing Neural recording systems have significantly progressed to provide an advanced understanding and treatment for neurological diseases. Flexible transistor-based active neural probes exhibit great potential in electrophysiology applications due to their intrinsic amplification capability and tissue-compliant nature. However, most current active neural probes exhibit bulky back-end connectivity since the output is current, and the development of an integrated circuit for voltage output is crucial for near-sensor signal processing at the abiotic/biotic interface. Here, inkjet-printed organic voltage amplifiers are presented by monolithically integrating organic electrochemical transistors and thin-film polymer resistors on a single, highly flexible substrate for in vivo brain activity recording. Additive inkjet printing enables the seamless integration of multiple active and passive components on the somatosensory cortex, leading to significant noise reduction over the externally connected typical configuration. It also facilitates fine-tuning of the voltage amplification and frequency properties. The organic voltage amplifiers are validated as electrocorticography devices in a rat in vivo model, showing their ability to record local field potentials in an experimental model of spontaneous and epileptiform activity. These results bring organic active neural probes to the forefront in applications where efficient sensory data processing is performed at sensor endpoints. Materials science ; Amplifier ; SIGNAL (programming language) ; Local field potential ; Transistor ; Resistor ; Transistor array ; Nanotechnology ; Voltage ; Optoelectronics ; Computer science ; CMOS ; Electrical engineering ; Neuroscience Conducting polymers and applications ; Neuroscience and Neural Engineering ; Advanced Memory and Neural Computing
Authors: Mubashar Ali | Masood Yousaf | Junaid Munir | M. Junaid Iqbal Khan | Qurat ul Ain | M.W. Younis
Source: The European Physical Journal Plus (article, 2023-12-23)
Field: Materials Science — Materials Chemistry

Controlled dynamic variation of interfacial electronic and optical properties of sodium-intercalated silicene/hBN heterostructure Silicene ; Materials science ; Condensed matter physics ; Heterojunction ; Density functional theory ; van der Waals force ; Dipole ; Graphene ; Physics ; Nanotechnology ; Molecule ; Quantum mechanics Graphene research and applications ; 2D Materials and Applications ; Topological Materials and Phenomena
Authors: Kyung Ho Cho | Ji Woong Yoon | Jeong Hyeon Lee | Jin Chul Kim | Donghui Jo | Jaedeuk Park | Su‐Kyung Lee | Sang Kyu Kwak | U‐Hwang Lee
Source: ACS Applied Materials & Interfaces (article, 2023-06-13)
Field: Chemistry — Inorganic Chemistry

Design of Pore Properties of an Al-Based Metal–Organic Framework for the Separation of an Ethane/Ethylene Gas Mixture via Ethane-Selective Adsorption A series of Al-based isomorphs (CAU-10H, MIL-160, KMF-1, and CAU-10pydc) were synthesized using isophthalic acid (ipa), 2,5-furandicarboxylic acid (fdc), 2,5-pyrrole dicarboxylic acid (pyrdc), and 3,5-pyridinedicarboxylic acid (pydc), respectively. These isomorphs were systematically investigated to identify the best adsorbent for effectively separating C<sub>2</sub>H<sub>6</sub>/C<sub>2</sub>H<sub>4</sub>. All CAU-10 isomorphs exhibited preferential adsorption of C<sub>2</sub>H<sub>6</sub> over that of C<sub>2</sub>H<sub>4</sub> in mixture. CAU-10pydc exhibited the best C<sub>2</sub>H<sub>6</sub>/C<sub>2</sub>H<sub>4</sub> selectivity (1.68) and the highest C<sub>2</sub>H<sub>6</sub> uptake (3.97 mmol g<sup>-1</sup>) at 298 K and 1 bar. In the breakthrough experiment using CAU-10pydc, 1/1 (v/v) and 1/15 (v/v) C<sub>2</sub>H<sub>6</sub>/C<sub>2</sub>H<sub>4</sub> gas mixtures were successfully separated into high-purity C<sub>2</sub>H<sub>4</sub> (>99.95%), with remarkable productivities of 14.0 L<sub>STP</sub> kg<sup>-1</sup> and 32.0 L<sub>STP</sub> kg<sup>-1</sup>, respectively, at 298 K. Molecular simulations revealed that the exceptional separation performance of CAU-10pydc originated from the increased porosity and reduced electron density of the pyridine ring of pydc, leading to a relatively larger decrease in π-π interactions with C<sub>2</sub>H<sub>4</sub> than in the C-H···π interactions with C<sub>2</sub>H<sub>6</sub>. This study demonstrates that the pore size and geometry of the CAU-10 platform are modulated by the inclusion of heteroatom-containing benzene dicarboxylate or heterocyclic rings of dicarboxylate-based organic linkers, thereby fine-tuning the C<sub>2</sub>H<sub>6</sub>/C<sub>2</sub>H<sub>4</sub> separation ability. CAU-10pydc was determined to be an optimum adsorbent for this challenging separation. Isophthalic acid ; Materials science ; Adsorption ; Benzene ; Selectivity ; Pyridine ; Porosity ; Terephthalic acid ; Ethylene ; Heteroatom ; Metal-organic framework ; Chemical engineering ; Ring (chemistry) ; Organic chemistry ; Composite material ; Chemistry Metal-Organic Frameworks: Synthesis and Applications ; Covalent Organic Framework Applications ; Membrane Separation and Gas Transport