jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Jian‐Hong Liao | Tzu‐Hao Chiu | Hao Liang | Samia Kahlal | Jean‐Yves Saillard | C. W. Liu
Source: Nanoscale (article, 2023-01-01)
Field: Materials Science — Materials Chemistry

Galvanic replacement-induced introduction of a heteroligand into bimetallic and trimetallic nanoclusters Heteroleptic 8-electron silver-rich alloy nanoclusters, [Au@Au<sub>4</sub>Ag<sub>12</sub>(dtp)<sub>7</sub>(PPh<sub>3</sub>)<sub>4</sub>]<sup>2+</sup> (1) and [Pt@Au<sub>4</sub>Ag<sub>11</sub>(dtp)<sub>7</sub>(PPh<sub>3</sub>)<sub>4</sub>] (2), were successfully synthesized <i>via</i> a galvanic replacement reaction of 1,1-dithiolate-protected M@Ag<sub>20</sub> (M = Au and Pt) nanoclusters with Au(I)-phosphine salts, leading to the alteration of the cluster nuclearity and geometry of shell skeletons but retaining the same 8-electron count. Nanoclusters ; Bimetallic strip ; Galvanic cell ; Materials science ; Nanotechnology ; Metallurgy ; Metal Nanocluster Synthesis and Applications ; Gold and Silver Nanoparticles Synthesis and Applications ; Advanced Nanomaterials in Catalysis
Authors: Hendrik Groß | Dennis Groeneveld | Michael Poschmann | Ulrich Schürmann | Jan König | Wolfgang Bensch | Jürgen Wöllenstein | Lorenz Kienle
Source: Advanced Engineering Materials (article, 2023-02-01)
Field: Materials Science — Materials Chemistry

About the Impact of Defect Phases on the Thermoelectric Properties of Cr<sub>3</sub>S<sub>4–<i>x</i></sub>Se<sub><i>x</i></sub> Phase relations in Cr 3 S 4 and the substituted system Cr 3 S 4– x Se x are studied to determine the influence of chemical substitutions on the thermoelectric properties. In addition to the expected equilibrium phase crystallizing in the monoclinic space group I 2/ m , some samples exhibit a defect phase with Cr 2 S 3 ‐like structure. The defect phase can be observed in a few samples prior to sintering, with the majority being phase‐pure Cr 3 S 4 . The defect phase can, however, be introduced in phase‐pure samples through in situ heating. It can be proven that the defect phase has an influence on the thermoelectric properties, by lowering the electrical and thermal conductivity, while increasing the Seebeck coefficient. Substitution in the anion lattice of Cr 3 S 4 with Se lowers the thermal conductivity. The improvement is mainly achieved through a reduction of the electronic contribution to the thermal conductivity, leading to total values as low as 1.6 Wm −1 K −1 for the substituted system in comparison to the pristine material 2.3 Wm −1 K −1 . Thermoelectric effect ; Materials science ; Seebeck coefficient ; Monoclinic crystal system ; Thermal conductivity ; Electrical resistivity and conductivity ; Phase (matter) ; Thermoelectric materials ; Sintering ; Analytical Chemistry (journal) ; Crystal structure ; Thermodynamics ; Mineralogy ; Crystallography ; Metallurgy ; Composite material ; Chemistry Advanced Thermoelectric Materials and Devices ; Chalcogenide Semiconductor Thin Films ; Heusler alloys: electronic and magnetic properties
Authors: Gabriele Falciani | Luca Bergamasco | Agnese Amati | Gijsbert Verdoes | Indraneel Sen | Sylvestre Bonnet | Eliodoro Chiavazzo
Source: International Communications in Heat and Mass Transfer (article, 2023-11-24)
Field: Chemistry — Organic Chemistry

Design and testing of a device for the characterization of gas transfer through soap films and measurement protocol based on color matching Soap films are interesting for their potential utilization as soft, self-assembled, self-healing and possibly recyclable membranes. The intrinsic possibility of tuning their properties, such as e.g. surface and bulk elasticity or permeability, via tailored chemistry makes them flexible enough for a wide range of physical-chemical applications. Here we introduce a novel device that can serve as a research platform for the detailed experimental characterization of the soap film permeability to gases. The design and manufacturing of the novel platform are discussed, along with a sample characterization protocol based on a color-matching procedure for dioxygen diffusion through typical soap films. The experimental data is compared with the results obtained from a numerical model, specifically developed for the problem, and good agreement is found. In perspective, the proposed platform can serve for the precise characterization of gas transfer properties of soap films made from different surfactant mixtures and in the presence of different gases. Soap film ; Materials science ; SOAP ; Characterization (materials science) ; Nanotechnology ; Pulmonary surfactant ; Computer science ; Membrane ; Permeability (electromagnetism) ; Process engineering ; Chemical engineering ; Mechanics ; Chemistry Advanced Polymer Synthesis and Characterization ; Surfactants and Colloidal Systems ; Membrane Separation and Gas Transport
Authors: A. Binetti | Wei-Fan Hsu | Koen Schouteden | Jin Won Seo | Jean‐Pierre Locquet | María Recamán Payo
Source: Results in Physics (article, 2023-04-25)
Field: Materials Science — Polymers and Plastics

Epitaxial growth of V2O3 thin films on Si(1 1 1) by molecular beam epitaxy Vanadium sesquioxide (V2O3) is a strongly correlated electron material exhibiting two distinct metal–insulator transitions that can be tuned via strain, doping, or pressure, making it an interesting material for new-generation sensors or smart devices. For this purpose, it is required to achieve well-ordered epitaxial thin film growth with high-quality electrical and optical properties on technologically relevant substrates. We report the successful growth of epitaxial thin films of V2O3 via molecular beam epitaxy, in the paramagnetic insulating (PI) phase on the (111) plane of silicon, by tailoring the growth conditions. Extensive electrical, structural, and morphological characterization both in situ and ex situ has been performed on all samples. The structural analysis reveals that temperature plays a more impactful role in affecting the thin film microstructures than the oxygen partial pressure. When the epitaxy of V2O3 occurs on the unoxidized (111) plane of silicon, four equivalent epitaxial domains begin to form, leading to twin boundaries in the bulk of the film. The considerable lattice mismatch between silicon and V2O3 induces the growth of the corundum PI phase. Lastly, small deviations from stoichiometry due to different oxygen inflow during growth alter significantly the resistivity change upon cooling. Molecular beam epitaxy ; Epitaxy ; Materials science ; Optoelectronics ; Thin film ; Nanotechnology ; Layer (electronics) Transition Metal Oxide Nanomaterials ; Ga2O3 and related materials ; Gas Sensing Nanomaterials and Sensors
Authors: Chi Hun Choi | Jaeho Shin | Lucas Eddy | Victoria Granja | Kevin M. Wyss | Barbara Souza Damasceno | Hua Gao | Guanhui Gao | Yufeng Zhao | C. Fred Higgs | Yimo Han | James M. Tour
Source: ChemRxiv (preprint, 2023-10-16)
Field: Materials Science — Materials Chemistry

Flash-within-flash synthesis of gram-scale solid-state materials Sustainable manufacturing that prioritizes energy efficiency, minimal water use, scalability, and the ability to generate diverse materials is essential to advance inorganic materials production while maintaining environmental consciousness. However, current manufacturing practices are unable to meet these requirements. Here, we describe a new flash-within-flash Joule heating (FWF)—a non-equilibrium, ultrafast heat conduction method—to prepare 13 transition metal dichalcogenides (TMD) and 9 non-TMD materials, each in under 5 seconds while in ambient conditions. FWF achieves enormous advantages in facile gram scalability and in sustainable manufacturing criteria when compared to other synthesis methods. Also, FWF allows the production of phase-selective and single-crystalline bulk powders, a phenomenon rarely observed by any other synthesis method. Furthermore, FWF-made MoSe2 outperformed commercially available MoSe2 in tribology, showcasing the quality of FWF-made materials. The capability for atom substitution and doping further highlights the versatility of FWF as a general bulk inorganic materials synthesis protocol. Flash (photography) ; Materials science ; Nanotechnology ; Scalability ; Process engineering ; Computer science ; Engineering ; Physics 2D Materials and Applications ; MXene and MAX Phase Materials ; Advanced Sensor and Energy Harvesting Materials
Authors: Fatim-Zahra Mouhib | Bo Gao | Talal Al‐Samman
Source: Journal of Materials Science (article, 2023-12-29)
Field: Materials Science — Biomaterials

On the role of selective nucleation and growth to recrystallization texture development in a Mg–Gd–Zn alloy Abstract One of the main material properties altered by rare earth additions in magnesium alloys is texture, which can be specifically adjusted to enhance ductility and formability. The current study aims at illuminating the texture selection process in a Mg–0.073at%Gd–0.165at%Zn alloy by investigating recrystallization nucleation and early nucleus growth during static recrystallization. An as-cast sample of the investigated alloy was deformed in uniaxial compression at 200 °C till 40% strain and was then cut into two halves for subsequent microstructure characterization via ex situ and quasi in situ EBSD investigations. In order to gain insights into the evolution of texture during recrystallization, the contributions from dynamic and static recrystallization were initially separated and the origin of the non-basal orientation of recrystallization nuclei was traced back to several potential nucleation sites within the deformed matrix. Considering the significant role of double-twin band recrystallization in determining the recrystallization texture, this type of recrystallization nucleation was further investigated via quasi-in situ EBSD on a deformed sample, annealed at 400 °C for different annealing times. With progressive annealing, a noticeable trend was observed, in which the basal nuclei gradually diminished and eventually vanished from the annealed microstructure. In contrast, the off-basal nuclei exhibited continuous growth, ultimately becoming the dominant contributors to the recrystallization texture. The study therefore emphasizes the importance of particular nucleation sites that generate favorably oriented off-basal nuclei, which over the course of recrystallization outcompete the neighboring basal-oriented nuclei in terms of growth and thereby dominate the recrystallization texture. Recrystallization (geology) ; Materials science ; Nucleation ; Electron backscatter diffraction ; Annealing (glass) ; Dynamic recrystallization ; Alloy ; Microstructure ; Metallurgy ; Crystallography ; Composite material ; Hot working ; Thermodynamics ; Chemistry Magnesium Alloys: Properties and Applications ; Aluminum Alloys Composites Properties ; Hydrogen Storage and Materials
Authors: Ying Kit Tsui | Chia‐Nung Kuo | Chih‐En Hsu | Wei Zhang | Wenyan Wang | Shanmin Wang | Wing Chi Yu | Hung‐Chung Hsueh | C. S. Lue | Swee K. Goh
Source: Physical review. B./Physical review. B (article, 2023-09-28)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Current direction dependent magnetotransport in CuTe Despite being a layered, easily-exfoliated compound, copper monotelluride (CuTe) features an unusual quasi-one-dimensional charge density wave below ${T}_{\mathrm{CDW}}\ensuremath{\approx}335\phantom{\rule{0.16em}{0ex}}\mathrm{K}$. Within a CuTe layer, the electrical resistivity depends sensitively on the direction of the electrical current. Here, we use magnetotransport to probe the metallic state of CuTe with two distinct in-plane current directions. When the current flows along the $a$ axis ($I//a$), the magnetoresistance exhibits a downward curvature as the magnetic field increases. On the other hand, when the current is along the $b$ axis ($I//b$), the magnetoresistance shows the opposite curvature. Our analysis uncovers a violation of Kohler scaling, but only for $I//a$. Shubnikov--de Haas oscillations are detected at low temperatures. Our results shed light on the nature of the metallic state in CuTe with the development of the charge density wave. Magnetoresistance ; Condensed matter physics ; Charge density wave ; Curvature ; Electrical resistivity and conductivity ; Current density ; Magnetic field ; Physics ; Current (fluid) ; Scaling ; Geometry ; Quantum mechanics Organic and Molecular Conductors Research ; Physics of Superconductivity and Magnetism ; Advanced Condensed Matter Physics
Authors: Sean Ponce | Hui Zhang
Source: PROTEOMICS (article, 2023-01-02)
Field: Chemistry — Spectroscopy

Developing quantitative assays for six urinary glycoproteins using parallel reaction monitoring, data‐independent acquisition, and TMT‐based data‐dependent acquisition Quantitative approaches encompassing parallel reaction monitoring (PRM), data-independent acquisition (DIA), and data-dependent acquisition (DDA) are commonly used to investigate protein expression profiles. However, analytical performances of assays developed using PRM, DIA, and Tandem Mass Tag (TMT)-based DDA for quantitative proteomics have yet not been investigated. Here, we developed assays for glycopeptides identified from six glycoproteins, including Leucine-rich alpha-2-glycoprotein (LRG1), Prostaglandin-H2 D-isomerase (PTGDS), Aminopeptidase N (ANPEP), CD63 antigen (CD63), Clusterin (CLU), and Prostatic acid phosphatase (ACPP), using PRM, DDA, and DIA and evaluated the analytical performances of each assay using the different acquisition modes. We also compared assays in each acquisition mode on three different orbitrap instruments: Thermo Fisher Q Exactive, Exploris 480, and Lumos. We found that DIA showed the largest linear range, highest sensitivity, and most reproducibility. We then applied our developed DIA assays to urine samples from non-aggressive (n = 48) and aggressive (n = 35) prostate cancer patients. In conclusion, we developed assays for the six glycoproteins, evaluated the analytical performances of each assay in DIA, PRM, and PRM acquisition modes on three types of mass spectrometry instruments, and chose the DIA assays for the quantitative analysis of urine samples from patients with aggressive and non-aggressive prostate cancer. Chemistry ; Orbitrap ; Selected reaction monitoring ; Clusterin ; Proteomics ; Tandem mass tag ; Mass spectrometry ; Prostate cancer ; Glycoprotein ; Chromatography ; Quantitative proteomics ; Tandem mass spectrometry ; Cancer ; Biochemistry ; Medicine ; Internal medicine Advanced Proteomics Techniques and Applications ; Clusterin in disease pathology ; Mass Spectrometry Techniques and Applications
Authors: Dmitri A. Burdin | Dmitri V. Chashin | N. A. Ékonomov | L. Y. Fetisov | Vladimir Preobrazhensky | Y. K. Fetisov
Source: Sensors (article, 2023-06-25)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Low-Frequency Resonant Magnetoelectric Effects in Layered Heterostructures Antiferromagnet-Piezoelectric Magnetic field sensors using magnetoelectric (ME) effects in planar ferromagnetic-piezoelectric heterostructures convert a magnetic field into an output voltage. The parameters of ME sensors are determined by characteristics of the magnetic constituent. In this work, the low-frequency ME effects in heterostructures comprising a layer of antiferromagnetic hematite α-Fe<sub>2</sub>O<sub>3</sub> crystal with easy-plane anisotropy and a piezoelectric layer are studied. The effects arise due to a combination of magnetostriction and piezoelectricity because of mechanical coupling of the layers. The field dependences of magnetization and magnetostriction of the hematite crystal are measured. The resonant ME effects in the hematite-piezopolymer and hematite-piezoceramic structures are studied. The strong coupling between magnetic and acoustic subsystems of hematite results in a tuning of the acoustic resonance frequency by the magnetic field. For the hematite layer, the frequency tuning was found to be ~37% with an increase in the bias field up to 600 Oe. For the hematite-PVDF heterostructure, the frequency tuning reached ~24% and the ME coefficient was 58 mV/(Oe∙cm). For the hematite-piezoceramic heterostructure, the frequency tuning was ~4.4% and the ME coefficient 4.8 V/(Oe∙cm). Efficient generation of the second voltage harmonic in the hematite-piezoceramic heterostructure was observed. Magnetostriction ; Hematite ; Materials science ; Piezoelectricity ; Antiferromagnetism ; Magnetoelectric effect ; Nanogenerator ; Heterojunction ; Condensed matter physics ; Electromechanical coupling coefficient ; Ferromagnetic resonance ; Piezoelectric coefficient ; Magnetic field ; Magnetic anisotropy ; Magnetization ; Crystal (programming language) ; Optoelectronics ; Ferroelectricity ; Composite material ; Multiferroics ; Dielectric ; Physics ; Metallurgy Multiferroics and related materials ; Underwater Acoustics Research ; Ferroelectric and Piezoelectric Materials
Authors: Vadla Veenachary | E. Venkata Ramana | S. Narendra Babu | Venkata Sreenivas Puli | Adiraj Srinivas | G. Srinivasan | Sujoy Saha | G. Prasad | N. V. Prasad
Source: Crystals (article, 2023-03-01)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Magnetic and Magnetoelectric Properties of AurivilliusThree- and Four-Layered Intergrowth Ceramics In this work, we have prepared intergrowth of multiferroic compounds namely Bi4RTi3Fe0.7Co0.3O15-Bi3RTi2Fe0.7Co0.3O12−δ (BRTFCO15-BRTFCO12) (rare earth (R) = Dy, Sm, La) by solid-state reaction method. From the X-ray diffraction Rietveld refinement, the structure of the intergrowths was found to be orthorhombic in which satisfactory fittings establish the existence of three-layered (space group: b 2 c b) and four-layered compounds (space group: A21am). Analysis of magnetic measurements confirmed a larger magnetization for theSm-modified intergrowth compound (BSTFCO15-BSTFCO12) compared to Dy- and La-doped ones. The emergence of higher magnetic properties can be due to distortion in the unit cell when some Bi3+ ions are replaced with the Sm3+, bonding of Fe3+-O-Co3+ as well as a possible mixture of FexCoy-type nanoparticles that are formed generally in the synthesis of intergrowths. The changes in the magnetic state of the Aurivillius intergrowths have been reflected in the magnetoelectric (ME) coupling: higher ME coefficient (~30 mV/Cm-Oe) at lower magnetic fields and is constant up to 3 kOe. The results were corroborated by Raman spectroscopy and variation of temperature with magnetization data. The results revealed that the RE-modified intergrowth route is an effective preparative method for higher-layer Aurivillius multiferroic ceramics. Aurivillius ; Rietveld refinement ; Multiferroics ; Materials science ; Raman spectroscopy ; Magnetization ; Orthorhombic crystal system ; Crystallography ; Ferromagnetism ; Ceramic ; Nuclear magnetic resonance ; Crystal structure ; Condensed matter physics ; Chemistry ; Ferroelectricity ; Magnetic field ; Composite material ; Dielectric ; Optics ; Physics Multiferroics and related materials ; Ferroelectric and Piezoelectric Materials
Authors: Kingsley Egbo | E. Luna | Jonas Lähnemann | Georg Hoffmann | A. Trampert | Jona Grümbel | Elias Kluth | Martin Feneberg | R. Goldhahn | Oliver Bierwagen
Source: Journal of Applied Physics (article, 2023-01-24)
Field: Materials Science — Materials Chemistry

Epitaxial synthesis of unintentionally doped <i>p</i>-type SnO (001) via <i>suboxide</i> molecular beam epitaxy By employing a mixed SnO2 + Sn source, we demonstrate suboxide molecular beam epitaxy (S-MBE) growth of phase-pure single-crystalline metastable SnO (001) thin films on Y-stabilized ZrO2 (001) substrates at a growth rate of ∼1.0 nm/min without the need for additional oxygen. These films grow epitaxially across a wide substrate temperature range from 150 to 450 °C. Hence, we present an alternative pathway to overcome the limitations of high Sn or SnO2 cell temperatures and narrow growth windows encountered in previous MBE growth of metastable SnO. In situ laser reflectometry and line-of-sight quadrupole mass spectrometry were used to investigate the rate of SnO desorption as a function of substrate temperature. While SnO ad-molecule desorption at TS = 450 °C was growth-rate limiting, the SnO films did not desorb at this temperature after growth in vacuum. The SnO (001) thin films are transparent and unintentionally p-type doped, with hole concentrations and mobilities in the range of 0.9–6.0 × 1018 cm−3 and 2.0–5.5 cm2 V−1 s−1, respectively. These p-type SnO films obtained at low substrate temperatures are promising for back-end-of-line (BEOL) compatible applications and for integration with n-type oxides in pn heterojunctions and field-effect transistors. Molecular beam epitaxy ; Suboxide ; Materials science ; Thin film ; Epitaxy ; Substrate (aquarium) ; Analytical Chemistry (journal) ; Heterojunction ; Desorption ; Optoelectronics ; Nanotechnology ; Chemistry ; Silicon ; Physical chemistry ZnO doping and properties ; Electronic and Structural Properties of Oxides ; Gas Sensing Nanomaterials and Sensors
Authors: Rebecca L. Schultz | Grzegorz Sabat | Brian G. Fox | Thomas C. Brunold
Source: Biochemistry (article, 2023-06-07)
Field: Chemistry — Inorganic Chemistry

A Single DNA Point Mutation Leads to the Formation of a Cysteine–Tyrosine Crosslink in the Cysteine Dioxygenase from <i>Bacillus subtilis</i> Cysteine dioxygenase (CDO) is a non-heme iron-containing enzyme that catalyzes the oxidation of cysteine (Cys) to cysteine sulfinic acid (CSA). Crystal structures of eukaryotic CDOs revealed the presence of an unusual crosslink between the sulfur of a cysteine residue (C93 in <i>Mus musculus</i> CDO, <i>Mm</i>CDO) and a carbon atom adjacent to the phenyl group of a tyrosine residue (Y157). Formation of this crosslink occurs over time as a byproduct of catalysis and increases the catalytic efficiency of CDO by at least 10-fold. Interestingly, in bacterial CDOs, the residue corresponding to C93 is replaced by a highly conserved glycine (G82 in <i>Bacillus subtilis</i> CDO, <i>Bs</i>CDO), which precludes the formation of a C-Y crosslink in these enzymes; yet bacterial CDOs achieve turnover rates paralleling those of fully crosslinked eukaryotic CDOs. In the present study, we prepared the G82C variant of <i>Bs</i>CDO to determine if a single DNA point mutation could lead to C-Y crosslink formation in this enzyme. We used gel electrophoresis, peptide mass spectrometry, electron paramagnetic resonance spectroscopy, and kinetic assays to characterize this variant alongside the natively crosslinked wild-type (WT) <i>Mm</i>CDO and the natively non-crosslinked WT <i>Bs</i>CDO. Collectively, our results provide compelling evidence that the G82C <i>Bs</i>CDO variant is indeed capable of C-Y crosslink formation. Our kinetic studies indicate that G82C <i>Bs</i>CDO has a reduced catalytic efficiency compared to WT <i>Bs</i>CDO and that activity increases as the ratio of crosslinked to non-crosslinked enzyme increases. Finally, by carrying out a bioinformatic analysis of the CDO family, we were able to identify a large number of putatively crosslinked bacterial CDOs, the majority of which are from Gram-negative pathogenic bacteria. Cysteine ; Chemistry ; Bacillus subtilis ; Enzyme ; Biochemistry ; Residue (chemistry) ; Stereochemistry ; Bacteria ; Biology Metal-Catalyzed Oxygenation Mechanisms ; Metalloenzymes and iron-sulfur proteins ; Folate and B Vitamins Research