jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Jean Wildort Félix | María Inés Granados-Alegría | Rufino Gómez-Tah | Miguel Tzec-Simá | Eliel Ruíz-May | Blondy Canto‐Canché | Jesús Alejandro Zamora‐Briseño | Esaú Bojórquez‐Velázquez | Carlos Oropeza | Ignacio Islas‐Flores
Source: International Journal of Molecular Sciences (article, 2023-06-21)
Field: Chemistry — Inorganic Chemistry

Proteome Landscape during Ripening of Solid Endosperm from Two Different Coconut Cultivars Reveals Contrasting Carbohydrate and Fatty Acid Metabolic Pathway Modulation <i>Cocos nucifera</i> L. is a crop grown in the humid tropics. It is grouped into two classes of varieties: dwarf and tall; regardless of the variety, the endosperm of the coconut accumulates carbohydrates in the early stages of maturation and fatty acids in the later stages, although the biochemical factors that determine such behavior remain unknown. We used tandem mass tagging with synchronous precursor selection (TMT-SPS-MS3) to analyze the proteomes of solid endosperms from Yucatan green dwarf (YGD) and Mexican pacific tall (MPT) coconut cultivars. The analysis was conducted at immature, intermediate, and mature development stages to better understand the regulation of carbohydrate and lipid metabolisms. Proteomic analyses showed 244 proteins in YGD and 347 in MPT; from these, 155 proteins were shared between both cultivars. Furthermore, the proteomes related to glycolysis, photosynthesis, and gluconeogenesis, and those associated with the biosynthesis and elongation of fatty acids, were up-accumulated in the solid endosperm of MPT, while in YGD, they were down-accumulated. These results support that carbohydrate and fatty acid metabolisms differ among the developmental stages of the solid endosperm and between the dwarf and tall cultivars. This is the first proteomics study comparing different stages of maturity in two contrasting coconut cultivars and may help in understanding the maturity process in other palms. Endosperm ; Cultivar ; Biology ; Proteome ; Botany ; Ripening ; Fatty acid ; Metabolic pathway ; Carbohydrate ; Biochemistry ; Metabolism Coconut Research and Applications ; Food Chemistry and Fat Analysis ; Peanut Plant Research Studies
Authors: Ting Cui | Songhee Choi | Ting Lin | Chen Liu | Gang Wang | Ningning Wang | Shengru Chen | Haitao Hong | Dongke Rong | Qianying Wang | Qiao Jin | Jiaou Wang | Lin Gu | Chen Ge | Can Wang | Jin Guang Cheng | Qinghua Zhang | Liang Si | Kuijuan Jin | Er‐Jia Guo
Source: arXiv (Cornell University) (preprint, 2023-11-22)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Strain mediated phase crossover in Ruddlesden Popper nickelates Recent progress on the signatures of pressure-induced high temperature superconductivity in Ruddlesden Popper (RP) nickelates (Lan+1NinO3n+1) has attracted growing interest in both theoretical calculations and experimental efforts. The fabrication of high-quality single crystalline RP nickelate thin films is critical for possible reducing the superconducting transition pressure and advancing applications in microelectronics in the future. In this study, we report the observations of an active phase transition in RP nickelate films induced by misfit strain. We found that RP nickelate films favor the perovskite structure (n = infinite) under tensile strains, while compressive strains stabilize the La3Ni2O7 (n = 2) phase. The selection of distinct phases is governed by the strain dependent formation energy and electronic configuration. In compressively strained La3Ni2O7, we experimentally determined splitting energy is ~0.2 eV and electrons prefer to occupy in-plane orbitals. First principles calculations unveil a robust coupling between strain effects and the valence state of Ni ions in RP nickelates, suggesting a dual driving force for the inevitable phase co-existence transition in RP nickelates. Our work underscores the sensitivity of RP nickelate formation to epitaxial strain, presenting a significant challenge in fabricating pure-phase RP nickelate films. Therefore, special attention to stacking defects and grain boundaries between different RP phases is essential when discussing the pressure-induced superconductivity in RP nickelates. Superconductivity ; Materials science ; Condensed matter physics ; Valence (chemistry) ; Phase (matter) ; Perovskite (structure) ; Thin film ; Nanotechnology ; Crystallography ; Chemistry ; Physics Magnetic and transport properties of perovskites and related materials ; Advanced Condensed Matter Physics ; Physics of Superconductivity and Magnetism
Authors: L. Craco | Stefano Leoni
Source: Physical Review Materials (article, 2023-04-18)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Orbital-selective mixed-valent Mott/metal phase coexistence in <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:msub><mml:mi>NdNiO</mml:mi><mml:mn>2</mml:mn></mml:msub></mml:math> films A plethora of fundamentally different electronic states can coexist in orbital-selective systems, including Mott-localized, pseudogapped, Fermi, and non-Fermi-liquid phases. Understanding their emergence as a result of electronic correlations remains a fundamental challenge in condensed matter theory. Superconductivity in infinite-layer nickelates is driven by a subtle balance between valence charge and crystal structures, two aspects that are strongly affected by synthetic protocols. Here, using density functional plus dynamical mean-field theory, we explore correlation and hole-doping-induced electronic reconstruction in the ${\mathrm{NdNiO}}_{2}$ superconductor. Based on a direct comparison with extant RIXS data, we show that the electronic spectra of ${\mathrm{NdNiO}}_{2}$ films can be understood as mixed valence due to static modulation of $3{d}^{9}/3{d}^{8}$ Mott/metal states. The coexistence of Mott-localized $3{d}^{9}$ and partially restored Fermi-liquid $3{d}^{8}$ low-energy excitations results in a two-fluid system exhibiting different coupling parameters, a novel scenario in infinite-layer nickelate superconductors. We expect that our present results are also applicable to access novel phases of matter in other quantum systems, in which structural domains can host different doping levels. Valence (chemistry) ; Condensed matter physics ; Materials science ; Superconductivity ; Fermi liquid theory ; Fermi level ; Doping ; Electronic structure ; Density functional theory ; Physics ; Mott insulator ; Quantum mechanics Magnetic and transport properties of perovskites and related materials ; Advanced Condensed Matter Physics ; Physics of Superconductivity and Magnetism
Authors: Vasilis Petropoulos | Ioannis Georgoulis | Chrisovalantou Vourdaki | Peter Hrobárik | Ivica Sigmundová | Jela Nociarová | Margherita Maiuri | Giulio Cerullo | Mihalis Fakis
Source: ChemPhysChem (article, 2023-04-17)
Field: Chemistry — Physical and Theoretical Chemistry

Ultrafast Photophysics of Regioisomeric Triphenylamine Dyes Having Dipolar D‐π‐A‐A and Octupolar D‐(π‐A‐A)<sub>3</sub> Character with a Benzothiazole Unit in Matched or Mismatched Orientation Benzothiazole is among prominent electron-withdrawing heteroarene moieties used in a variety of π-conjugated molecules. Its relative orientation with respect to the principal dipole vector(s) of chromophores derived thereof is crucial, affecting photophysical and nonlinear optical properties. Here we compare the photophysics and ultrafast dynamics of dipolar and octupolar molecules comprising a triphenylamine electron-donating core, ethynylene π-conjugated linker(s) and benzothiazole acceptor(s) having the matched or mismatched orientation (with respect to the direction of intramolecular charge transfer), while a carbaldehyde group is attached as an auxiliary acceptor. Among chromophores without the auxiliary acceptor, stronger fluorescence solvatochromism and faster excited state dynamics are exhibited for the derivatives with the mismatched geometry. On the contrary, introduction of the auxiliary acceptor to the benzothiazole unit enhances the intramolecular charge transfer ICT (featuring ultrafast dynamics of the excited state) for the matched geometry. The data confirm the crucial role of the relative orientation of asymmetric heteroaromatic unit (regioisomeric effect) in dipolar as well as in multipolar molecules in tuning linear and nonlinear optical properties as well as excited state dynamics. Benzothiazole ; Chromophore ; Triphenylamine ; Chemistry ; Excited state ; Photochemistry ; Acceptor ; Solvatochromism ; Intramolecular force ; Dipole ; Conjugated system ; Molecule ; Chemical physics ; Stereochemistry ; Atomic physics ; Organic chemistry ; Physics Photochemistry and Electron Transfer Studies ; Luminescence and Fluorescent Materials ; Photochromic and Fluorescence Chemistry
Authors: Eugenio Fasci | M. A. Khan | Vittorio D’Agostino | Stefania Gravina | Vito Fernicola | L. Gianfrani | A. Castrillo
Source: Sensors and Actuators A Physical (article, 2023-09-09)
Field: Chemistry — Spectroscopy

Water vapor concentration measurements in high purity gases by means of comb assisted cavity ring down spectroscopy Mole fraction ; Spectrometer ; Water vapor ; Analytical Chemistry (journal) ; Cavity ring-down spectroscopy ; Absorption (acoustics) ; Spectroscopy ; Detection limit ; Spectral line ; Noise (video) ; Absorption spectroscopy ; Materials science ; Optics ; Chemistry ; Physics Spectroscopy and Laser Applications ; Advanced Fiber Laser Technologies ; Photonic and Optical Devices
Authors: Shang-Te Tsai | Jo-Ling Huang | Pei-Xiu Ke | Cheng‐Fu Yang | Hung-Cheng Chen
Source: Materials (article, 2023-10-27)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Analysis of an Ultra-Wideband, Perfectly Absorptive Fractal Absorber with a Central Square Nanopillar in a Cylindrical Structure with a Square Hollow In this study, a fractal absorber was designed to enhance light absorptivity and improve the efficiency of converting solar energy into electricity for a range of solar energy technologies. The absorber consisted of multiple layers arranged from bottom to top, and the bottom layer was made of Ti metal, followed by a thin layer of MgF<sub>2</sub> atop it. Above the two layers, a structure comprising square pillars formed by three layers of Ti/MgF<sub>2</sub>/Ti was formed. This pillar was encompassed by a square hollow with cylindrical structures made of Ti material on the exterior. The software utilized for this study was COMSOL Multiphysics<sup>®</sup> (version 6.0). This study contains an absorption spectrum analysis of the various components of the designed absorber system, confirming the notion that achieving ultra-wideband and perfect absorption resulted from the combination of the various components. A comprehensive analysis was also conducted on the width of the central square pillar, and the analysis results demonstrate the presence of several remarkable optical phenomena within the investigated structure, including propagating surface plasmon resonance, localized surface plasmon resonance, Fabry-Perot cavity resonance, and symmetric coupling plasma modes. The optimal model determined through this software demonstrated that broadband absorption in the range of 276 to 2668 nm, which was in the range of UV-B to near-infrared, exceeded 90.0%. The average absorption rate in the range of 276~2668 nm reached 0.965, with the highest achieving a perfect absorptivity of 99.9%. A comparison between absorption with and without outer cylindrical structures revealed that the resonance effects significantly enhanced absorption efficiency, as evidenced by a comparison of electric field distributions. Materials science ; Molar absorptivity ; Poynting vector ; Absorption (acoustics) ; Optics ; Multiphysics ; Surface plasmon resonance ; Optoelectronics ; Composite material ; Physics ; Nanotechnology ; Finite element method Metamaterials and Metasurfaces Applications ; Advanced Antenna and Metasurface Technologies ; Advanced Materials and Mechanics
Authors: Ulrike Wirth | Julia Erl | Saphia Azzam | Carina Höring | Michael Skiba | Ritu Singh | Kathrin Hochmuth | Max Keller | Joachim Wegener | Burkhard König
Source: Angewandte Chemie (article, 2023-03-18)
Field: Materials Science — Materials Chemistry

Monitoring the Reversibility of GPCR Signaling by Combining Photochromic Ligands with Label‐free Impedance Analysis Abstract G protein‐coupled cell surface receptors (GPCR) trigger complex intracellular signaling cascades upon agonist binding. Classic pharmacological assays provide information about binding affinities, activation or blockade at different stages of the signaling cascade, but real time dynamics and reversibility of these processes remain often disguised. We show that combining photochromic NPY receptor ligands, which can be toggled in their receptor activation ability by irradiation with light of different wavelengths, with whole cell label‐free impedance assays allows observing the cell response to receptor activation and its reversibility over time. The concept demonstrated on NPY receptors may be well applicable to many other GPCRs providing a deeper insight into the time course of intracellular signaling processes. G protein-coupled receptor ; Receptor ; Intracellular ; Agonist ; Signal transduction ; Chemistry ; Biophysics ; Cell surface receptor ; Cell signaling ; Extracellular ; Cell biology ; Biology ; Biochemistry Photochromic and Fluorescence Chemistry ; Receptor Mechanisms and Signaling ; Neurobiology and Insect Physiology Research
Authors: Ma̅rtiņš Zubkins | Edvards Strods | Viktors Vibornijs | Anatolijs Šarakovskis | Ramūnas Nedzinskas | Reinis Ignatāns | Edgars Butanovs | J. Purāns | A. Azens
Source: Journal of Alloys and Compounds (article, 2023-12-19)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Deposition and photoluminescence of zinc gallium oxide thin films with varied stoichiometry made by reactive magnetron co-sputtering Stoichiometry ; Photoluminescence ; Gallium ; Materials science ; Sputter deposition ; Deposition (geology) ; Zinc ; Thin film ; Sputtering ; Cavity magnetron ; Inorganic chemistry ; Chemical engineering ; Metallurgy ; Mineralogy ; Chemistry ; Nanotechnology ; Optoelectronics ; Physical chemistry ; Geology Ga2O3 and related materials ; ZnO doping and properties ; Gas Sensing Nanomaterials and Sensors
Authors: Rongbin Wang | Thorsten Schultz | Alexandra Papadogianni | Elena Longhi | Christos Gatsios | Fengshuo Zu | Tianshu Zhai | Stephen Barlow | Seth R. Marder | Oliver Bierwagen | Patrick Amsalem | Norbert Koch
Source: Small (article, 2023-04-20)
Field: Materials Science — Materials Chemistry

Tuning the Surface Electron Accumulation Layer of In<sub>2</sub>O<sub>3</sub> by Adsorption of Molecular Electron Donors and Acceptors In<sub>2</sub> O<sub>3</sub> , an n-type semiconducting transparent transition metal oxide, possesses a surface electron accumulation layer (SEAL) resulting from downward surface band bending due to the presence of ubiquitous oxygen vacancies. Upon annealing In<sub>2</sub> O<sub>3</sub> in ultrahigh vacuum or in the presence of oxygen, the SEAL can be enhanced or depleted, as governed by the resulting density of oxygen vacancies at the surface. In this work, an alternative route to tune the SEAL by adsorption of strong molecular electron donors (specifically here ruthenium pentamethylcyclopentadienyl mesitylene dimer, [RuCp*mes]<sub>2</sub> ) and acceptors (here 2,2'-(1,3,4,5,7,8-hexafluoro-2,6-naphthalene-diylidene)bis-propanedinitrile, F<sub>6</sub> TCNNQ) is demonstrated. Starting from an electron-depleted In<sub>2</sub> O<sub>3</sub> surface after annealing in oxygen, the deposition of [RuCp*mes]<sub>2</sub> restores the accumulation layer as a result of electron transfer from the donor molecules to In<sub>2</sub> O<sub>3</sub> , as evidenced by the observation of (partially) filled conduction sub-bands near the Fermi level via angle-resolved photoemission spectroscopy, indicating the formation of a 2D electron gas due to the SEAL. In contrast, when F<sub>6</sub> TCNNQ is deposited on a surface annealed without oxygen, the electron accumulation layer vanishes and an upward band bending is generated at the In<sub>2</sub> O<sub>3</sub> surface due to electron depletion by the acceptor molecules. Hence, further opportunities to expand the application of In<sub>2</sub> O<sub>3</sub> in electronic devices are revealed. Work function ; Band bending ; Electron acceptor ; Materials science ; Adsorption ; Annealing (glass) ; Fermi level ; Acceptor ; Oxide ; Oxygen ; Electron transfer ; Electron ; X-ray photoelectron spectroscopy ; Low-energy electron diffraction ; Analytical Chemistry (journal) ; Photochemistry ; Layer (electronics) ; Chemistry ; Nanotechnology ; Electron diffraction ; Physical chemistry ; Condensed matter physics ; Physics ; Nuclear magnetic resonance ; Optoelectronics ZnO doping and properties ; Electronic and Structural Properties of Oxides ; Quantum Dots Synthesis And Properties
Authors: Grégoire Prunier | Mehdi Cherkaoui | Albane Lysiak | Olivier Langella | Mélisande Blein‐Nicolas | Virginie Lollier | Émile Benoist | Géraldine Jean | Guillaume Fertin | Hélène Rogniaux | Dominique Tessier
Source: BMC Bioinformatics (article, 2023-11-08)
Field: Chemistry — Spectroscopy

Fast alignment of mass spectra in large proteomics datasets, capturing dissimilarities arising from multiple complex modifications of peptides SpecGlobX is helpful as a decision support tool, providing keys to interpret peptides carrying complex modifications still poorly considered by current open modification search software. Better alignment of PSMs enhances confidence in the identification of spectra provided by open modification search methods and should improve the interpretation rate of spectra. Computer science ; A priori and a posteriori ; False positive paradox ; Mass spectrum ; Data mining ; Interpretation (philosophy) ; Algorithm ; Spectral line ; Java ; Artificial intelligence ; Mass spectrometry ; Physics ; Programming language Advanced Proteomics Techniques and Applications ; Mass Spectrometry Techniques and Applications ; Metabolomics and Mass Spectrometry Studies
Authors: Hegazy Rezk | A.G. Olabi | Rania M. Ghoniem | Mohammad Ali Abdelkareem
Source: Energies (article, 2023-05-12)
Field: Materials Science — Materials Chemistry

Optimized Fractional Maximum Power Point Tracking Using Bald Eagle Search for Thermoelectric Generation System The amount of energy that a thermoelectric generator (TEG) is capable of harvesting mainly depends on the temperature difference between the hot and cold sides of the TEG. To ensure that the TEG operates efficiently under any condition or temperature variation, it is crucial to have a reliable MPPT that keeps the TEG as close as possible to its MPP. Fractional control is usually preferred over integer control because it allows for more precise, flexible, and robust control over a system. The controller parameters in fractional control are not limited to integer values, but rather can have fractional values, which enables more precise control of the system’s dynamics. In this paper, an optimized fractional PID-based MPPT that effectively addresses two primary issues, dynamic response and oscillation around MPP, is proposed. Firstly, the five unknown parameters of the optimized fractional PID-based MPPT were estimated by the BES “bald eagle search” algorithm. To validate the superiority of the BES, the results were compared with those obtained using other optimization algorithms, such as ant lion optimizer (ALO), equilibrium optimizer (EO), cuckoo search (CS), and WOA “whale optimization algorithm”. The results demonstrate that BES outperforms ALO, EO, CS, and WOA. Additionally, the tracking performance of proposed MPPT was evaluated using two scenarios that involved variations in temperature differences and sudden changes in the load demanded. Overall, the proposed optimized fractional PID-based MPPT effectively improves dynamic performance and eliminates oscillation around MPP under steady state compared to other tracking methods, such as P&amp;O “perturb and observe” and incremental conductance (INR). Control theory (sociology) ; Maximum power point tracking ; Cuckoo search ; PID controller ; Controller (irrigation) ; Computer science ; Integer (computer science) ; Fractional calculus ; Oscillation (cell signaling) ; Power (physics) ; Temperature control ; Mathematics ; Algorithm ; Particle swarm optimization ; Physics ; Control (management) ; Engineering ; Control engineering ; Applied mathematics ; Inverter Advanced Thermoelectric Materials and Devices ; Metaheuristic Optimization Algorithms Research ; Advanced Thermodynamics and Statistical Mechanics
Authors: Naoki Nohira | Keiko Widyanisa | Wan‐Ting Chiu | Akira Umise | Masaki Tahara | Hideki Hosoda
Source: Materials (article, 2023-06-22)
Field: Materials Science — Materials Chemistry

Effects of 3d Transition Metal Substitutions on the Phase Stability and Mechanical Properties of Ti–5.5Al–11.8[Mo]eq Alloys The phase stability, mechanical properties, and functional properties of Ti-5.5Al-11.8[Mo]<sub>eq</sub> alloys are focused on in this study by substituting 3d transition metal elements (V, Cr, Co, and Ni) for Mo as β-stabilizers to achieve similar β phase stability and room temperature (RT) superelasticity. The ternary alloy systems with the equivalent chemical compositions of Ti-5.5Al-17.7V, Ti-5.5Al-9.5Cr, Ti-5.5Al-7.0Co, and Ti-5.5Al-9.5Ni (mass%) alloys were selected as the target materials based on the Mo equivalent formula, which has been applied for the Ti-5.5Al-11.8Mo alloy in the literature. The fundamental mechanical properties and functionalities of the selected alloys were examined. The β phase was stabilized at RT in all alloys except for the Ti-Al-V alloy. Among all alloys, the Ti-Al-Ni alloy exhibited superelasticity in the cyclic loading-unloading tensile tests at RT. As a result, similar to the Ti-5.5Al-11.8Mo mother alloy, by utilizing the Mo equivalent formula to substitute 3d transition metal elements for Mo, a RT superelasticity was successfully imposed. Materials science ; Transition metal ; Phase (matter) ; Phase transition ; Metal ; Metallurgy ; Thermodynamics ; Chemistry ; Physics ; Catalysis ; Organic chemistry Titanium Alloys Microstructure and Properties ; Intermetallics and Advanced Alloy Properties ; Metal and Thin Film Mechanics