jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Pin‐Wei Lee | Adrián Saura-Sanmartín | Christoph A. Schalley
Source: Advanced Functional Materials (article, 2023-10-06)
Field: Materials Science — Materials Chemistry

Scratch‐Resistant Hydrophobic Coating with Supramolecular‐Polymer Co‐Assembly Abstract Supramolecular assembly for superhydrophobic coatings is known for its efficiency and efficacy. However, the mechanical fragility of the coatings limits their use as coating materials. Herein, the combination of (±)‐ N,N' ‐( trans ‐cyclohexane‐1,2‐diyl)‐bis(perfluorooctanamide) CF7 , a cyclohexyl diamide‐based low molecular weight gelator, with acrylate polymers for the generation of semi‐transparent omniphobic coatings with significantly enhanced scratch proofness is presented. CF7 has shown the ability to self‐assemble in common solvents into highly entangled fibrous networks with extreme water repellency. The incorporation of covalent polymers, specifically poly(methyl methacrylate) (PMMA) and poly(trifluoroethyl methacrylate) (PTFEMA), helps to fixate the supramolecular CF7 fibers without interfering with the self‐assembled structures. The resulting coatings, namely CF7/PMMA and CF7/PTFEMA , show significantly improved mechanical resistance as well as optical transparency while maintaining excellent water and oil repellency. Furthermore, the homogeneity of the coating in bulk is confirmed by depth profiling of the 3D distribution of the components using time‐of‐flight secondary ion mass spectrometry imaging, which turns out to be an essential technique in order to characterize such materials. Materials science ; Coating ; Polymer ; Supramolecular chemistry ; Methacrylate ; Acrylate ; Supramolecular polymers ; Methyl methacrylate ; Chemical engineering ; Polymer chemistry ; Composite material ; Molecule ; Monomer ; Organic chemistry Luminescence and Fluorescent Materials ; Surface Modification and Superhydrophobicity ; Supramolecular Self-Assembly in Materials
Authors: Jesús Cases Díaz | Mónica Giménez‐Marqués
Source: Chemical Communications (article, 2023-11-17)
Field: Chemistry — Inorganic Chemistry

Alternative protein encapsulation with MOFs: overcoming the elusive mineralization of HKUST-1 in water Protein encapsulation by <i>in situ</i> formation of MOFs is a valuable strategy to immobilise and protect these bioentities. However the required biocompatible conditions limits the scope of MOFs under investigation, particularly in the case of hydrolytically unstable MOFs such as HKUST-1. We report alternative synthetic procedures to obtain protein@HKUST-1 biocomposites from related Cu-BTC dense biocomposites. pH dependent dense phase precursors are first obtained and their transformations into HKUST-1 are characterized. Encapsulation efficiency is affected by the protein's nature, and can be modulated by the sequential or simultaneous addition of MOF precursors. Encapsulation (networking) ; Mineralization (soil science) ; Chemistry ; Nanotechnology ; Materials science ; Computer science ; Organic chemistry Metal-Organic Frameworks: Synthesis and Applications ; Peptidase Inhibition and Analysis ; Corrosion Behavior and Inhibition
Authors: Angela Weigert Muñoz | Weining Zhao | Stephan A. Sieber
Source: RSC Chemical Biology (article, 2023-11-10)
Field: Chemistry — Organic Chemistry

Monitoring host–pathogen interactions using chemical proteomics We review how chemical proteomic tools have been used to elucidate biological processes at the interface of bacteria and eukaryotic hosts, which can be important in the establishment of pathogenicity. Host (biology) ; Proteomics ; Pathogen ; Computational biology ; Biology ; Ecology ; Microbiology ; Genetics Click Chemistry and Applications ; Advanced Biosensing Techniques and Applications ; Biosensors and Analytical Detection
Authors: En Li | Kai Tang | Zhuhui Ren | Xiaoyun Liao | Qianchen Liu | Yong Huang | Jiean Chen
Source: Advanced Science (article, 2023-08-04)
Field: Chemistry — Organic Chemistry

Enantioselective S<sub>N</sub>2 Alkylation of Homoenolates by N‐Heterocyclic Carbene Catalysis Abstract The functionalization of the β‐carbon of enals with electrophiles is a signature umpolung reactivity of N‐heterocyclic carbene (NHC) derived homoenolates. However, only a limited number of electrophiles are shown to be compatible, with most of them being π ‐electrophiles. In this study, the successful enantioselective β ‐alkylation of homoenolates is reported using C sp3 electrophiles through an S N 2 strategy. The protocol shows a broad scope regarding alkyl electrophiles, delivering good yields, and excellent enantioselectivities (up to 99% ee). It enables the installation of drug‐like structural motifs in either enals or alkylating agents, demonstrating its potential as a valuable tool for late‐stage modification. Furthermore, a concise synthetic route is presented to chiral pyrroloindoline‐type skeletons. Preliminary mechanistic studies support a direct S N 2 mechanism. Enantioselective synthesis ; Carbene ; Alkylation ; Catalysis ; Chemistry ; Organic chemistry ; Medicinal chemistry N-Heterocyclic Carbenes in Organic and Inorganic Chemistry ; Coordination Chemistry and Organometallics ; Catalytic Cross-Coupling Reactions
Authors: K. Iida | Jens Hänisch | Satoshi Hata | Akiyasu Yamamoto
Source: Superconductor Science and Technology (article, 2023-04-14)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Recent progress on epitaxial growth of Fe-based superconducting thin films Abstract Since the discovery of Fe-based superconductors, a lot of effort has been devoted to growing single crystals and epitaxial thin films of them for fundamental studies and applied research of superconductivity. As a result, epitaxial thin films of the most of Fe-based superconductors have been realized. However, some of the materials, namely pristine and transition-metal-doped (Li,Fe)OHFeSe, hydrogen-doped Ln FeAsO ( Ln = Nd and Sm), Co-doped SmFeAsO, and K-doped BaFe 2 As 2 have been available only in the form of single crystals due to, e.g. the difficulty in doping hydrogen, obtaining high-quality sintered bulks for the target used for pulsed laser deposition, and controlling volatile elements. By solving those issues, the aforementioned compounds have been successfully fabricated as epitaxial thin films in recent years. Unlike single crystals, transport critical current measurements are relatively easy on thin films, which can help evaluate the application potential. In this article, we give an overview over the growth methods for epitaxial thin films of those compounds, followed by their physical properties, especially focusing on electrical transport. Epitaxy ; Materials science ; Superconductivity ; Doping ; Thin film ; Pulsed laser deposition ; Optoelectronics ; Hydrogen ; Nanotechnology ; Condensed matter physics ; Engineering physics ; Chemistry ; Layer (electronics) ; Physics Iron-based superconductors research ; Corporate Taxation and Avoidance ; Intellectual Capital and Performance Analysis
Authors: Kévin Renault | Yoan Capello | Shun Yao | Sami Halila | Anthony Romieu
Source: Chemistry - An Asian Journal (article, 2023-04-24)
Field: Chemistry — Organic Chemistry

Arylidene Meldrum's Acid: A Versatile Structural Motif for the Design of Enzyme‐Responsive “Covalent‐Assembly” Fluorescent Probes with Tailor‐Made Properties** Latent cyclic carbon-centered nucleophiles (latent C-nucleophiles) are recently proving their value in the field of reaction-based fluorescent probes, far beyond their primary utility in organic synthesis. They are typically used to introduce a Michael acceptor moiety acting as a recognition/reaction site for analyte to be detected or as a kinetic promoter of fluorogenic cascade reactions triggered by a reactive species. C-nucleophiles bearing a further reactive handle offer an additional opportunity for tuning the physicochemical/targeting properties or providing drug-releasing capabilities to these probes, through the covalent attachment of ad hoc chemical moiety. In order to implement such strategy to fluorogenic/chromogenic enzyme substrates based on the "covalent-assembly" principle, we have explored the potential of some functionalized derivatives of barbituric acid, piperidine-2,4-dione and Meldrum's acid. Our investigations based on the rational design and analytical validations of enzyme-responsive caged precursors of fluorescent pyronin dyes and 7-(diethylamino)coumarin-3-carboxylic acid, led to identify a versatile candidate suitable for this late-stage structural optimization approach. This Meldrum's acid derivative enables to either enhance water solubility or achieve the reversible conjugation of a targeting ligand, while promoting in situ formation of fluorophore upon enzymatic activation. This study opens the way to novel multifunctional fluorescence imaging probes and optically modulated small conjugate-based theranostics. Moiety ; Fluorophore ; Chemistry ; Nucleophile ; Rational design ; Combinatorial chemistry ; Covalent bond ; Fluorescence ; Chromogenic ; Organic chemistry ; Nanotechnology ; Materials science ; Catalysis Click Chemistry and Applications ; Luminescence and Fluorescent Materials ; Molecular Sensors and Ion Detection
Authors: Hsin‐Yu Chen | Jeremy W. Gordon | Nicholas Dwork | Brian Chung | Andrew Riselli | Sanjay Sivalokanathan | Robert Bok | James B. Slater | Daniel B. Vigneron | M. Roselle Abraham | Peder E. Z. Larson
Source: NMR in Biomedicine (article, 2023-12-06)
Field: Chemistry — Spectroscopy

Probing human heart TCA cycle metabolism and response to glucose load using hyperpolarized [2‐<sup>13</sup>C]pyruvate MRS HP [2-<sup>13</sup> C]pyruvate imaging is safe and permits noninvasive assessment of TCA cycle intermediates and the acetyl buffer, acetylcarnitine, which is not possible using HP [1-<sup>13</sup> C]pyruvate. Cardiac metabolite measurement in the fasting/fed states provides information on cardiac metabolic flexibility and the acetylcarnitine pool. Acetylcarnitine ; Glycolysis ; Citric acid cycle ; Tricarboxylic acid ; Internal medicine ; Endocrinology ; Chemistry ; Pyruvate dehydrogenase complex ; Medicine ; Metabolism ; Biochemistry Advanced NMR Techniques and Applications ; Advanced MRI Techniques and Applications ; Electron Spin Resonance Studies
Authors: Andreas Eitzinger | Armin R. Ofial
Source: Pure and Applied Chemistry (article, 2023-04-01)
Field: Chemistry — Organic Chemistry

Reactivity of electrophilic cyclopropanes Cyclopropanes that carry an electron-accepting group react as electrophiles in polar, ring-opening reactions. Analogous reactions at cyclopropanes with additional C2 substituents allow one to access difunctionalized products. Consequently, functionalized cyclopropanes are frequently used building blocks in organic synthesis. The polarization of the C1-C2 bond in 1-acceptor-2-donor-substituted cyclopropanes not only favorably enhances reactivity toward nucleophiles but also directs the nucleophilic attack toward the already substituted C2 position. Monitoring the kinetics of non-catalytic ring-opening reactions with a series of thiophenolates and other strong nucleophiles, such as azide ions, in DMSO provided the inherent S<sub>N</sub>2 reactivity of electrophilic cyclopropanes. The experimentally determined second-order rate constants <i>k</i> <sub>2</sub> for cyclopropane ring-opening reactions were then compared to those of related Michael additions. Interestingly, cyclopropanes with aryl substituents at the C2 position reacted faster than their unsubstituted analogues. Variation of the electronic properties of the aryl groups at C2 gave rise to parabolic Hammett relationships. Chemistry ; Electrophile ; Reactivity (psychology) ; Organic chemistry ; Catalysis Cyclopropane Reaction Mechanisms ; Sulfur-Based Synthesis Techniques ; Catalytic Alkyne Reactions
Authors: M. J. Yang | Mengxiang Yang | Yimin Li | Yuqi Chen | Yu-Ling Song | Jin Jia | Taichao Su
Source: Molecules (article, 2023-10-26)
Field: Materials Science — Materials Chemistry

Optimizing Thermoelectric Performance of Tellurium via Doping with Antimony and Selenium Forming solid solutions is one of the most effective strategies to suppress the thermal conductivity of thermoelectric materials. However, the accompanying increase in impurity ion scattering usually results in an undesirable loss in hall mobility, negatively impacting the electrical transport properties. In this work, a tellurium-selenium (Te-Se) solid solution with trace antimony (Sb) doping was synthesized via the high pressure and high temperature method. It was found that slight Se doping into the Te sites not only had no impact on the hall mobility and carrier concentration, but also enhanced the density-of-state effective mass of Sb<sub>0.003</sub>Te<sub>0.997</sub>, leading to an enhanced power factor near room temperature. Additionally, the presence of Se doping caused a significant reduction in the phonon thermal conductivity of Te due to fluctuations in the mass and strain field. The lowest phonon thermal conductivity was as low as ~0.42 Wm<sup>-1</sup>K<sup>-1</sup> at 600 K for Sb<sub>0.003</sub>Se<sub>0.025</sub>Te<sub>0.972</sub>, which approached the theoretical minimum value of Te (~0.28 Wm<sup>-1</sup>K<sup>-1</sup>). The effects of Se doping suppressed thermal conductivity, while Sb doping enhanced the power factor, resulting in a larger <i>ZT</i> of ~0.94 at 600 K. Moreover, these findings demonstrate that Sb and Se doping can effectively modulate the electrical and thermal transport properties of Te in a synergistic manner, leading to a significant increase in the average <i>ZT</i> across a wide temperature range. Tellurium ; Antimony ; Doping ; Thermal conductivity ; Materials science ; Thermoelectric effect ; Electron mobility ; Phonon scattering ; Analytical Chemistry (journal) ; Electrical resistivity and conductivity ; Thermoelectric materials ; Hall effect ; Selenium ; Impurity ; Seebeck coefficient ; Chemistry ; Optoelectronics ; Metallurgy ; Thermodynamics ; Composite material Advanced Thermoelectric Materials and Devices ; Thermal properties of materials ; Thermal Radiation and Cooling Technologies
Authors: Xiao Liu | Kenneth S. Vecchio
Source: Materials Research Letters (article, 2023-07-11)
Field: Materials Science — Materials Chemistry

Simultaneously improving mechanical and magnetic properties through heterogeneous lamella structures in a superalloy-like, soft magnetic complex concentrated alloy Heterogeneous lamella (HL) structures were produced via simple processing steps in a FeCoNi-based complex concentrated alloy (CCA) with superalloy-like FCC/L12 microstructure. Compared to the homogeneous-structured control specimens, the HL-structured specimens exhibited synergic enhancements in strengths and ductility (with σy up to 1 GPa, σu up to 1.4 GPa, and ϵt up to 16.5%), and at the same time, higher saturation magnetization and lower coercivity (with Ms up to 104 Am2 kg−1 and Hc as low as 833 A/m). The results obtained in this study provide insights to enhancing mechanical properties in structural soft magnetic materials without sacrificing their magnetic properties. Materials science ; Lamella (surface anatomy) ; Coercivity ; Superalloy ; Alloy ; Microstructure ; Ductility (Earth science) ; Homogeneous ; Magnetization ; Metallurgy ; Composite material ; Saturation (graph theory) ; Magnetic field ; Condensed matter physics ; Thermodynamics Shape Memory Alloy Transformations ; High Entropy Alloys Studies ; Magnetic Properties of Alloys
Authors: Pier Luigi Pireddu
Source: Journal of the History of Biology (article, 2023-05-23)
Field: Materials Science — Biomaterials

The Relationship Between George Evelyn Hutchinson and Vladimir Ivanovic Vernadsky: Roots and Consequences of a Biogeochemical Approach Focusing on the relationship between two important scientists in the development of ecological thought during the first half of the twentieth century, this paper argues that Yale limnologist G. E. Hutchinson's adoption of the biogeochemical approach in the late 1930s builds on the 1920s work of the Russian scientist V. I. Vernadsky. An analysis of Hutchinson's scientific publications shows that he first referred to Vernadsky in 1940, on two different occasions. This article analyzes the dynamics of Hutchinson's formulation of the biogeochemical approach, providing historical context and linking its early application to the existing limnological tradition. Biogeochemical cycle ; Philosophy of biology ; Context (archaeology) ; History of science ; George (robot) ; History ; Environmental ethics ; Philosophy of science ; Classics ; Ecology ; Philosophy ; Epistemology ; Archaeology ; Art history ; Biology Diatoms and Algae Research ; Polar Research and Ecology ; Environmental Monitoring and Data Management
Authors: Aleksandar Ćirić | Stevan Stojadinović | Miroslav D. Dramićanin
Source: Advanced Materials Technologies (article, 2023-07-12)
Field: Materials Science — Materials Chemistry

Multifunctional Al<sub>2</sub>O<sub>3</sub>:Eu<sup>2+</sup>/Sm<sup>2+,3+</sup> + Y<sub>2</sub>O<sub>3</sub>:Eu<sup>3+</sup> Coatings Created by the Plasma Electrolytic Oxidation Abstract The industrial applications of luminescent coatings for temperature sensing and high‐security QR codes have multiple inherent problems in their application (speed, cost, industrial feasibility) or properties (poor adhesion, chemical, thermal stability, or thermal contact). Luminescent coatings created by the electrochemical Plasma Electrolytic Oxidation (PEO) process have superior properties and can be grown directly within minutes, but are limited to the number of possible luminescent dopants. Having the unlimited possibility for doping on the PEO coatings would provide for superior coatings in all industrially appealing features. Herein, it is shown that adding any luminescent powder results in its partial dissociation and incorporation of its constituents, while it also gets incorporated as a whole. In this manner, alumina coatings are grown with various combinations and concentrations of divalent samarium and europium, and yttrium oxide with trivalent europium ions. These polycrystalline coatings whose microhardness is next to that of the diamond produce intense luminescence in the blue and red regions. Al 2 O 3 :Eu 2+ /Sm 2+/3+ + Y 2 O 3 :Eu 3+ coatings show an excellent temperature sensing performance from the cryogenic up to the high temperatures. Ultimately, the proof‐of‐concept of the luminescent QR code by the electrochemical process is realized creating a highly secure code with unprecedented environmental stability. Luminescence ; Europium ; Materials science ; Yttrium ; Thermal stability ; Dopant ; Doping ; Analytical Chemistry (journal) ; Oxide ; Chemical engineering ; Metallurgy ; Chemistry ; Optoelectronics Luminescence Properties of Advanced Materials ; Electronic and Structural Properties of Oxides ; Nuclear materials and radiation effects
Authors: T. Steinke | Elric Engelage | Stefan Huber
Source: Acta Crystallographica Section C Structural Chemistry (article, 2023-01-11)
Field: Chemistry — Physical and Theoretical Chemistry

Chalcogen bonding in the solid-state structures of 1,3-bis(benzimidazoliumyl)benzene-based chalcogen-bonding donors 1,3-Bis(benzimidazoliumyl)benzene-based chalcogen-bonding catalysts were previously successfully applied in different benchmark reactions. In one of those examples, i.e. the activation of quinolines, sulfur- and selenium-based chalcogen-bonding catalysts showed comparable properties, which is unexpected, as the selenium-containing catalysts should show superior catalytic properties due to the increased polarizability of selenium compared to sulfur. Herein, we present four crystal structures of the respective 1,3-bis(benzimidazoliumyl)benzene-based chalcogen-bonding catalyst containing sulfur (3<sup>S</sup>) and selenium (3<sup>Se</sup>, three forms) as Lewis acidic centres. The sulfur-containing catalyst shows weaker chalcogen bonding compared to its selenium analogue, as well as anion-π interactions. The selenium-based analogues, on the other hand, show stronger chalcogen-bonding motifs compared to the sulfur equivalent, depending on the crystallization conditions, but in every case, the intermolecular interactions are comparable in strength. Other interactions, such as hydrogen bonding and anion-π, were also observed, but in the latter case, the interaction distances are longer compared to those of the sulfur-based equivalent. The solid-state structures could not further explain the high catalytic activity of the sulfur-containing catalysts. Therefore, a comparison of their σ-hole depths from density functional theory (DFT) gas-phase calculations was performed, which are again in line with the previously found properties in the solid-state structures. Chalcogen ; Solid-state ; Benzene ; Chemistry ; Crystallography ; Materials science ; Organic chemistry ; Physical chemistry Crystallography and molecular interactions ; Crystal structures of chemical compounds ; Organometallic Compounds Synthesis and Characterization
Authors: Geoffrey Pascal Barbet | Bo Qiang | Yuhao Jin | Tingting Wu | Patrice Genevet | Qijie Wang | Yu Luo
Source: Advanced Optical Materials (article, 2023-05-10)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Epsilon‐Near‐Zero Enhancement of Nonlinear Responses from Intersubband Transitions in the Mid‐Infrared Abstract Many applications of photonics require efficient nonlinear optical interactions with low power and small footprints. However, the current needs for long interaction lengths and strong laser sources of nonlinear optical devices make them unsuitable for nanophotonic integrated optics. New materials and devices with stronger nonlinear properties have been developed using various approaches in the past few years. One of the largest nonlinear optical responses reported to date has been realized with engineered intersubband transitions in n‐doped multiple quantum wells (MQWs) semiconductors. Here, this work proposes to improve further the nonlinear properties of a MQW heterostructure by tailoring its permittivity to reach near‐zero values. Materials with vanishing permittivity, called epsilon‐near‐zero (ENZ) materials, have exotic nonlinear features which can be explored to achieve this goal. To prove this point, this work makes use of In 0.53 Ga 0.47 As/Al 0.48 In 0.52 As, designs an ultrathin multilayer structure, and couples the designed structure with metasurfaces. Unprecedented nonlinear efficiency within subwavelength propagation lengths is obtained. Such structure with strong second harmonic generation (SHG) enables efficient frequency conversion, while the tunability offered by the metasurface provides new degrees of freedom to control the amplitude, phase, and polarization of the nonlinear light. Materials science ; Nonlinear system ; Photonics ; Optoelectronics ; Nanophotonics ; Nonlinear optics ; Permittivity ; Second-harmonic generation ; Polarization (electrochemistry) ; Heterojunction ; Semiconductor ; Laser ; Optics ; Dielectric ; Physics ; Quantum mechanics Metamaterials and Metasurfaces Applications ; Plasmonic and Surface Plasmon Research