jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Eric W. Neuman | Nicholas Anselmo | Amber Meyer | Sophie Grier | Christopher Brian DiAntonio | Mark A. Rodriguez | Rose Torres | Brian K. Brane | James G. Griego
Source: International Journal of Ceramic Engineering & Science (article, 2022-09-18)
Field: Materials Science — Materials Chemistry

Processing and properties of PSZT 95/5 ceramics with varying Ti and Nb substitution Abstract Niobium doped lead‐tin‐zirconate‐titanate ceramics near the PZT 95/5 orthorhombic AFE – rhombohedral FE morphotropic phase boundary Pb 1‐0.5y (Zr 0.865‐x Ti x Sn 0.135 ) 1‐y Nb y O 3 were prepared according to a 2 2+1 factorial design with x = 0.05, 0.07 and y = 0.0155, 0.0195. The ceramics were prepared by a traditional solid‐state synthesis route and sintered to near full density at 1250°C for 6 h. All compositions were ∼98% dense with no detectable secondary phases by X‐ray diffraction. The ceramics exhibited equiaxed grains with intergranular porosity, and grain size was ∼5 µm, decreasing with niobium substitution. Compositions exhibited remnant polarization values of ∼32 µC/cm2, increasing with Ti substitution. Depolarization by the hydrostatic pressure induced FE‐AFE phase transition was drastically affected by variation of the Ti and Nb substitution, increasing at a rate of 113 MPa /1% Ti and 21 MPa/1% Nb. Total depolarization output was insensitive to the change in Ti and Nb substitution, ∼32.8 µC/cm2 for the PSZT ceramics. The R3c‐R3m and R3m‐Pm3m phase transition temperatures on heating ranged from 90 to 105°C and 183 to 191°C, respectively. Ti substitution stabilized the R3c and R3m phases to higher temperatures, while Nb substitution stabilized the Pm3m phase to lower temperatures. Thermal hysteresis of the phase transitions was also observed in the ceramics, with transition temperature on cooling being as much as 10°C lower. Materials science ; Phase transition ; Phase boundary ; Niobium ; Ceramic ; Orthorhombic crystal system ; Mineralogy ; Analytical Chemistry (journal) ; Phase (matter) ; Crystallography ; Metallurgy ; Crystal structure ; Thermodynamics ; Chemistry Ferroelectric and Piezoelectric Materials ; Microwave Dielectric Ceramics Synthesis ; Multiferroics and related materials
Authors: T. Chulkova | Олег Александрович Агафонов | A. Afanasenko | N. Cherepanova | R. Khabibullin | A. Legin
Source:  (article, 2022-06-03)
Field: Chemistry — Inorganic Chemistry

C,N-CHELATED DIAMINOCARBENE PLATINUM COMPLEXES, A NEW CHEMICAL SPACE FOR THE DEVELOPMENT OF PLATINUM-BASED ANTICANCER DRUGS Platinum ; Platinum compounds ; Chelation ; Space (punctuation) ; Chemical space ; Combinatorial chemistry ; Chemistry ; Materials science ; Computer science ; Organic chemistry ; Drug discovery ; Biochemistry ; Catalysis Asymmetric Hydrogenation and Catalysis ; Catalytic Cross-Coupling Reactions ; Synthetic Organic Chemistry Methods
Authors: Nima Taghipour | Guy L. Whitworth | Andreas Othonos | Mariona Dalmases | Santanu Pradhan | Yongjie Wang | Gaurav Kumar | Gerasimos Konstantatos
Source: arXiv (Cornell University) (preprint, 2022-03-25)
Field: Materials Science — Materials Chemistry

Low-threshold, highly stable colloidal quantum dot short-wave infrared laser enabled by suppression of trap-assisted Auger recombination Pb-chalcogenide colloidal quantum dots (CQDs) are attractive materials to be used as tuneable laser media across the infrared spectrum. However, excessive nonradiative Auger recombination due to the presence of trap states outcompetes light amplification by rapidly annihilating the exciton population, leading to high gain thresholds. Here, we employ a binary blend of CQDs and ZnO nanocrystals in order to passivate the in-gap trap states of PbS-CQD gain medium. Using transient absorption, we measure a five-fold increase in Auger lifetime demonstrating the suppression of trap-assisted Auger recombination. By doing so, we achieve a two-fold reduction in amplified spontaneous emission (ASE) threshold. Finally, by integrating our proposed binary blend to a DFB resonator, we demonstrate single-mode lasing emission at 1650 nm with a linewidth of 1.23 nm (0.62 meV), operating at a low lasing threshold of ~385 μJ.cm-2. The Auger suppression in this system has allowed to achieve unprecedented lasing emission stability for a CQD laser with recorded continuous operation of 5 hours at room temperature and ambient conditions. Lasing threshold ; Auger effect ; Materials science ; Optoelectronics ; Quantum dot ; Amplified spontaneous emission ; Laser ; Laser linewidth ; Spontaneous emission ; Auger ; Atomic physics ; Optics ; Physics Quantum Dots Synthesis And Properties ; Chalcogenide Semiconductor Thin Films ; Semiconductor Quantum Structures and Devices
Authors: Ponet, L. | Artyukhin, S | Kain, Thomas | Wettstein, Janek | Pimenov, Anna | Shuvaev, Alexey | Wang, X | Cheong, S-W | Mostovoy, Maxim | Pimenov, Andrei
Source: Open MIND (article, 2022-01-01)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Topologically protected magnetoelectric switching in a multiferroic Electric control of magnetism and magnetic control of ferroelectricity can improve the energy efficiency of magnetic memory and data-processing devices1. However, the necessary magnetoelectric switching is hard to achieve, and requires more than just a coupling between the spin and the charge degrees of freedom2-5. Here we show that an application and subsequent removal of a magnetic field reverses the electric polarization of the multiferroic GdMn2O5, thus requiring two cycles to bring the system back to the original configuration. During this unusual hysteresis loop, four states with different magnetic configurations are visited by the system, with one half of all spins undergoing unidirectional full-circle rotation in increments of about 90 degrees. Therefore, GdMn2O5 acts as a magnetic crankshaft that converts the back-and-forth variations of the magnetic field into a circular spin motion. This peculiar four-state magnetoelectric switching emerges as a topologically protected boundary between different two-state switching regimes. Our findings establish a paradigm of topologically protected switching phenomena in ferroic materials. Multiferroics ; Magnetoelectric effect ; Magnetism ; Ferroelectricity ; Spins ; Polarization density ; Magnetic field ; Polarization (electrochemistry) ; Ferromagnetism Multiferroics and related materials ; Ferroelectric and Piezoelectric Materials ; Topological Materials and Phenomena
Authors: Phúc Nguyên Lê | Văn Trí Trần | Thuý Phượng Ngô | Ngọc Thủy Lương | Trung Tuấn Phan
Source: Petrovietnam Journal (article, 2022-09-22)
Field: Chemistry — Analytical Chemistry

Chế biến trực tiếp dầu thô Bạch Hổ bằng quá trình cracking xúc tác nhiệt độ cao ở quy mô phòng thí nghiệm Quá trình cracking trực tiếp dầu thô Bạch Hổ và cặn khí quyển (AR) trên chất xúc tác Ecat và Ecat kết hợp ZSM-5 được thực hiện ở nhiệt độ 520 - 650oC nhằm tăng năng suất tạo olefin nhẹ (olefin C2 - C4). Khi tăng nhiệt độ từ 520 - 620oC, lượng olefin nhẹ tăng 8 - 9% khối lượng đối với cả 2 loại nguyên liệu dầu thô Bạch Hổ và cặn AR. Tại nhiệt độ 650oC, có thể thu được 24 - 26% lượng olefin nhẹ. Việc bổ sung thêm ZSM-5 hỗ trợ quá trình chuyển hóa gasoline thành olefin nhẹ, giúp tăng lượng olefin C2 - C4 lên hơn 30% với 16% hiệu suất propylene. Tuy nhiên, nếu tăng nhiệt độ lên quá cao hoặc bổ sung thêm nhiều ZSM-5 sẽ sinh ra lượng lớn sản phẩm không mong muốn là khí khô. Olefin fiber ; Chemistry ; Stereochemistry ; Medicinal chemistry ; Nuclear chemistry ; Catalysis Petroleum Processing and Analysis ; Enhanced Oil Recovery Techniques ; Hydrocarbon exploration and reservoir analysis
Authors: Cuesta, Nuria Aguilar | Rocio Barros Garcia | Juan Antonio Tamayo‐Ramos | Sonia Martel-Martín | Alfredo Bol | Mert Athilan | Santiago Martı́nez
Source: Zenodo (CERN European Organization for Nuclear Research) (article, 2022-10-21)
Field: Materials Science — Materials Chemistry

Carbon nanomaterials with Thymol + Menthol Type V natural deep eutectic solvent: From surface properties to nano-Venturi effect through nanopores A theoretical study using Density Functional Theory and classical Molecular Dynamics simulations for the study of carbon nanomaterials in archetypical Menthol + Thymol Type V Natural Deep Eutectic Solvent is reported. The nanoscopic structure of the representative nanofluid is analyzed considering confinement, adsorption and solvation effects, as well as consequences on diffusion properties through nano pores. Different types of nanomaterials were considered such as fullerenes, nanotubes, graphene and nanopores. The study of nanoscopic properties allowed to analyze the response of the solvent to the presence of the nanomaterials, taking into account solvent rearrangement and confinement in nanocavities and surfaces. This response shows liquid structure and mobility consequences, with a sort of nano-Venturi effect among them. The reported results provide for the first time a characterization of this type of natural solvents as a sustainable platform for the development of carbon – nanomaterials-based technologies Nanomaterials ; Menthol ; Eutectic system ; Nanopore ; Materials science ; Venturi effect ; Nano- ; Carbon fibers ; Thymol ; Nanotechnology ; Chemical engineering ; Chemistry ; Organic chemistry ; Composite material ; Chromatography ; Composite number ; Microstructure ; Essential oil ; Mechanical engineering ; Engineering Mesoporous Materials and Catalysis ; Ionic liquids properties and applications ; Catalysis and Oxidation Reactions
Authors: Ministry of Education, Kurdistan Region-iraq | Hala Hamid | Belan Khalil | Atheel N. Yousef
Source: The Journal of The University of Duhok (article, 2022-05-25)
Field: Materials Science — Materials Chemistry

In Vitro Phyhotoxicity of Silver Nanoparticles in Common Forage Plant Medicago Sativa Silver nanoparticles (AgNPs) are widely used in commercial products, and there are growing concerns about their impact onthe environment. the leakage of AgNPs in to water ecosystem could have consequential on plants through irrigation agricultural fields. Therefore, understanding some adverse effects of nanoparticles in forage crop plants is a matter of importancebecause nanoparticles are often released into soil environments. In current study, Medicago sativa, a common forage plant is used to investigate phytotoxic effect of AgNP on such plant. Preliminary results showed that higher concentrations (5, 10. 20 mg/L) of AgNP has stimulatory effect,compared to lower concentrations (0.2, 0.4, 0.8 mg/L),on several growth parameters. Among all, 10 mg/L of AgNPs shown to have most stimulatory effect on root weight, length and lateral root number. Shoot parameters appeared to be not affected by either high and low dosage of AgNP. Low concentration of AgNP combined with plant growth regulators (PGR) highly induced callus induction in either leaf or stem explants compared to control, while higher concentrations of AgNP showed induced regeneration capability in both leaf and stem explants with no or least callus induction. AgNO3 is used as a source of silver ion having two dimensions to compare with the three-dimensional AgNP. Therefore, the details regarding effect of AgNO3 is discussed in result section of this article Silver nanoparticle ; Medicago sativa ; Shoot ; Callus ; Explant culture ; Forage ; Chemistry ; Horticulture ; Agronomy ; Nanoparticle ; Botany ; Biology ; In vitro ; Materials science ; Nanotechnology Nanoparticles: synthesis and applications ; Graphene and Nanomaterials Applications
Authors: Sameera Abeyrathna | Nisansala S. Abeyrathna | Priyanka Basak | Gordon W. Irvine | Limei Zhang | Gabriele Meloni
Source: ChemRxiv (preprint, 2022-11-24)
Field: Chemistry — Electrochemistry

Plastic recognition and electrogenic uniport translocation of 1st-, 2nd-, and 3rd-row transition and post-transition metals by primary-active transmembrane P1B-2-type ATPase pumps Transmembrane P1B-type ATPase pumps catalyze the extrusion of transition metal ions across cellular lipid membranes to maintain essential cellular metal homeostasis and detoxify toxic metals. Zn(II)-pumps of the P1B-2-type subclass, in addition to Zn2+, select diverse metals (Pb2+, Cd2+ and Hg2+) at their transmembrane binding site and feature promiscuous metal-dependent ATP hydrolysis in the presence of these metals. Yet, a comprehensive understanding of the transport of these metals, their relative translocation rates, and transport mechanism remains elusive. We developed a platform for the characterization of primary-active Zn(II)-pumps in proteoliposomes to study metal selectivity, translocation events and transport mechanism in real-time, employing a “multi-probe” approach with fluorescent sensors responsive to diverse stimuli (metals, pH and membrane potential). Together with atomic-resolution investigation of cargo selection by X-ray Absorption Spectroscopy (XAS), we demonstrate that Zn(II)-pumps are electrogenic uniporters that preserve the transport mechanism with 1st-, 2nd- and 3rd-row transition metal substrates. Promiscuous coordination plasticity, guarantees diverse, yet defined, cargo selectivity coupled to their translocation. Chemistry ; Transmembrane protein ; Metal ; Transition metal ; Membrane ; P-type ATPase ; Lipid bilayer ; Ion transporter ; Biophysics ; Metal ions in aqueous solution ; Inorganic chemistry ; ATPase ; Biochemistry ; Enzyme ; Organic chemistry ; Biology Electrochemical Analysis and Applications ; Trace Elements in Health ; Advanced biosensing and bioanalysis techniques
Authors: Bingbing Lyu | Junxia Hu | Yani Chen | Zhiwei Ma
Source: Micromachines (article, 2022-08-14)
Field: Materials Science — Materials Chemistry

Spectra Stable Quantum Dots Enabled by Band Engineering for Boosting Electroluminescence in Devices The band level landscape in quantum dots is of great significance toward achieving stable and efficient electroluminescent devices. A series of quantum dots with specific emission and band structure of the intermediate layer is designed, including rich CdS (R-CdS), thick ZnSe (T-ZnSe), thin ZnSe (t-ZnSe) and ZnCdS (R-ZnCdS) intermediate alloy shell layers. These quantum dots in QLEDs show superior performance, including maximum current efficiency, external quantum efficiencies and a T<sub>50</sub> lifetime (at 1000 cd/m<sup>2</sup>) of 47.2 cd/A, 11.2% and 504 h for R-CdS; 61.6 cd/A, 14.7% and 612 h for t-ZnSe; 70.5 cd/A, 16.8% and 924 h for T-ZnSe; and 82.0 cd/A, 19.6% and 1104 h for R-ZnCdS. Among them, the quantum dots with the ZnCdS interlayer exhibit deep electron confinement and shallow hole confinement capabilities, which facilitate the efficient injection and radiative recombination of carriers into the emitting layer. Furthermore, the optimal devices show a superior T<sub>50</sub> lifetime of more than 1000 h. The proposed novel methodology of quantum dot band engineering is expected to start a new way for further enhancing QLED exploration. Quantum dot ; Electroluminescence ; Optoelectronics ; Materials science ; Quantum efficiency ; Electron ; Quantum well ; Spectral line ; Photoluminescence ; Layer (electronics) ; Nanotechnology ; Physics ; Optics Quantum Dots Synthesis And Properties ; Semiconductor Quantum Structures and Devices ; GaN-based semiconductor devices and materials
Authors: A. Gaydaychuk | Stepan Linnik | A. Mitulinsky | S. Zenkin
Source: 8th International Congress on Energy Fluxes and Radiation Effects (article, 2022-11-14)
Field: Materials Science — Materials Chemistry

Properties of ultrananocrystalline diamond grown under different deposition conditions The influence of CH4 and N2 concentration in CH4/H2/N2gas mixture on microstructure and mechanical properties of diamond films is investigated. Nitrogen addition to the gas mixture up to 18.5 vol. % does not significantly affect the structure of the coating. In the entire range of gas concentrations, coating structure is represented by a set of dendrites consisting of diamond crystallites of various sizes, as well as non-diamond carbon. It is shown that CH4 has a greater effect on the coating hardness and Young's modulus. Besides, it has been found that nitrogen-doped diamond coatings have a higher level of tensile residual stress. With a decrease in coating thickness or nitrogen concentration in the gas mixture, this difference decreases. Diamond ; Materials science ; Coating ; Diamond-like carbon ; Nitrogen ; Crystallite ; Microstructure ; Ultimate tensile strength ; Composite material ; Material properties of diamond ; Residual stress ; Carbon fibers ; Chemical vapor deposition ; Deposition (geology) ; Chemical engineering ; Metallurgy ; Nanotechnology ; Thin film ; Chemistry ; Composite number ; Organic chemistry Diamond and Carbon-based Materials Research ; High-pressure geophysics and materials ; Metal and Thin Film Mechanics
Authors: A Baydin | N Komatsu | F Tay | Y Ichinose | Dewey | Os | W Gao | Doiron | Cf | X Li | J Kono | Naik | Gv | M Bamba | X He | L Xie
Source: Research outreach (article, 2022-04-08)
Field: Materials Science — Materials Chemistry

Showcasing the potential for macroscopically aligned carbon nanotubes Carbon nanotube ; Nanotechnology ; Materials science ; Carbon fibers ; Composite material ; Composite number Carbon Nanotubes in Composites ; Nanotechnology research and applications
Authors: Roman Mylonas | Alexandra Potts | Patrice Waridel | Jachen Barblan | Maria del Carmen Conde Rubio | Christian Widmann | Manfredo Quadroni
Source: bioRxiv (Cold Spring Harbor Laboratory) (preprint, 2022-06-23)
Field: Chemistry — Spectroscopy

A database of accurate electrophoretic migration patterns for human proteins in cell lines Abstract Native molecular weight (MW) is one of the defining features of proteins. Denaturing gel electrophoresis (SDS-PAGE) is a very popular technique for separating proteins and determining their MW. Coupled with antibody-based detection, SDS-PAGE is widely applied for protein identification and quantitation. Yet, electrophoresis is poorly reproducible and the MWs obtained are often inaccurate. This hampers antibody validation and negatively impacts the reliability of western blot data, resulting worldwide in a considerable waste of reagents and labour. To alleviate these problems there is a need to establish a database of reference MWs measured by SDS-PAGE. Using mass spectrometry as an orthogonal detection method, we acquired electrophoretic migration patterns for approximately 10’000 human proteins in five commonly used cell lines. We applied a robust internal calibration of migration to determine accurate and reproducible molecular weights. This in turn allows merging replicates to increase accuracy, but also enables comparing different cell lines. Mining of the data obtained highlights structural factors that affect migration of distinct classes of proteins. We also show that the information produced recapitulates known post-translational modifications and differential splicing and can be used to formulate hypotheses on new or poorly known processing events. The full information is freely accessible as a web resource through a user friendly graphical interface ( https://pumba.dcsr.unil.ch/ ). We anticipate that this database will be useful to investigators worldwide for troubleshooting western blot experiments, but could also contribute to the characterization of human proteoforms. Database ; Western blot ; Computer science ; Troubleshooting ; Computational biology ; Gel electrophoresis ; Data mining ; Chemistry ; Molecular biology ; Biology ; Biochemistry ; Gene Advanced Proteomics Techniques and Applications ; Mass Spectrometry Techniques and Applications ; Molecular Biology Techniques and Applications
Authors: Denis Kochan | Michael Barth | Andreas Costa | Klaus Richter | Jaroslav Fabian
Source: AIP conference proceedings (article, 2022-01-01)
Field: Materials Science — Materials Chemistry

Spin relaxation and Yu-Shiba-Rusinov states in superconducting graphene We study theoretically the relaxation of quasi-particle spins in graphene in proximity to an s-wave superconductor in the presence of resonant magnetic and spin-orbit active impurities. It is well known that off resonance, the relaxation behaves as predicted from superconducting coherence: with lower temperatures the spin relaxation increases when electrons scatter off magnetic impurities (Hebel-Slichter effect), and decreases when the scatterers act via spin-orbit coupling. This distinct temperature dependence, not available in the normal state, can uniquely discriminate between the two scattering mechanisms. We have shown [1] that the Hebel-Slichter picture breaks down when magnetic impurities act resonantly—the emergent Yu-Shiba-Rusinov states inside the gap shift the spectral weight of the magnetic resonances and thus suppress their interaction with quasi-particle states. As a consequence this leads to a significant decrease of the spin-relaxation rate at lower temperatures. Our findings are valid for generic s-wave superconductors that host resonant magnetic impurities. Condensed matter physics ; Superconductivity ; Spins ; Relaxation (psychology) ; Physics ; Magnetic impurity ; Graphene ; Spin (aerodynamics) ; Electron ; Scattering ; Impurity ; Resonance (particle physics) ; Atomic physics ; Quantum mechanics Graphene research and applications ; Quantum and electron transport phenomena ; Topological Materials and Phenomena
Authors: Dmitri V. Stass
Source: International Journal of Molecular Sciences (article, 2022-12-02)
Field: Chemistry — Spectroscopy

Geometrization for Energy Levels of Isotropic Hyperfine Hamiltonian Block and Related Central Spin Problems for an Arbitrarily Complex Set of Spin-1/2 Nuclei Description of interacting spin systems relies on understanding the spectral properties of the corresponding spin Hamiltonians. However, the eigenvalue problems arising here lead to algebraic problems too complex to be analytically tractable. This is already the case for the simplest nontrivial (Kmax−1) block for an isotropic hyperfine Hamiltonian for a radical with spin-12 nuclei, where n nuclei produce an n-th order algebraic equation with n independent parameters. Systems described by such blocks are now physically realizable, e.g., as radicals or radical pairs with polarized nuclear spins, appear as closed subensembles in more general radical settings, and have numerous counterparts in related central spin problems. We provide a simple geometrization of energy levels in this case: given n spin-12 nuclei with arbitrary positive couplings ai, take an n-dimensional hyper-ellipsoid with semiaxes ai, stretch it by a factor of n+1 along the spatial diagonal (1, 1, …, 1), read off the semiaxes of thus produced new hyper-ellipsoid qi, augment the set {qi} with q0=0, and obtain the sought n+1 energies as Ek=−12qk2+14∑iai. This procedure provides a way of seeing things that can only be solved numerically, giving a useful tool to gain insights that complement the numeric simulations usually inevitable here, and shows an intriguing connection to discrete Fourier transform and spectral properties of standard graphs. Hyperfine structure ; Hamiltonian (control theory) ; Ellipsoid ; Eigenvalues and eigenvectors ; Isotropy ; Physics ; Spins ; Spin (aerodynamics) ; Quantum mechanics ; Diagonal ; Mathematical physics ; Theoretical physics ; Mathematics ; Geometry ; Condensed matter physics Advanced NMR Techniques and Applications ; Magnetism in coordination complexes ; Electron Spin Resonance Studies