jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Qianqian Li | Bo Zhang | Tao Yang | Qingwen Dai | Wei Huang | Xiaolei Wang
Source: Journal of Intelligent Manufacturing and Special Equipment (article, 2022-10-14)
Field: Materials Science — Surfaces, Coatings and Films

Preliminary investigation on the self-propulsion performance of wedge-shaped functional surfaces Purpose The purpose of this paper is to artificially construct a functional surface with self-propulsion flow characteristics for the directional transportation of propellant in surface tension tanks. Design/methodology/approach In this study, a method to enhance the propulsion efficiency by using functional surfaces of self-propulsion performance was proposed. Superhydrophilic wedged-groove with the superhydrophobic background was fabricated and the self-propulsion capacity was verified. Findings It is found that the self-propulsion capacity is related to the divergence angle of the wedged-groove in the hydrophilic area, and the velocity of the droplets on the deflector plate is the largest with the divergence angle of 4°; the temperature gradient field formed by the condensing device at the nozzle can accelerate the droplet outflow from the tank. Originality/value Realization of this idea provides an accurate control strategy for the complex flow process of propellant in plate surface tension tanks, which could enhance the efficiency of the tension tank significantly. Propulsion ; Propellant ; Surface tension ; Wedge (geometry) ; Nozzle ; Aerospace engineering ; Tension (geology) ; Materials science ; Mechanical engineering ; Groove (engineering) ; Marine engineering ; Engineering ; Physics ; Optics ; Composite material Surface Modification and Superhydrophobicity ; Fluid Dynamics and Heat Transfer ; Fluid Dynamics Simulations and Interactions
Authors: Marjan Piponski | Mariana Horyn | Kristina Grncaroska | Oleksandra Oleshchuk | Elena Petrovska | Stefan Angelevski | Tetyana Uglyar | Tetyana Kucher | Liliya Logoyda
Source: Scientia Pharmaceutica (article, 2022-10-17)
Field: Chemistry — Spectroscopy

Concepts for a New Rapid and Simple HPLC Method for Simultaneous Determination of Metoprolol and Meldonium in Pharmaceutical Dosage Forms Simultaneous determination of the tandem of drugs, like meldonium and metoprolol, with enormous polarity differences between them, requires thorough research and careful selection of chromatographic conditions. The three different CN-cyano groups with link-based particle columns, LiChrospher CN, Waters Spherisorb CNRP, Zorbax CN SB stationary phases, were tested, in an isocratic elution system, with a running mobile phase containing various concepts of composition contents. They were first with buffering salts which included acetonitrile and ammonium phosphate in one group, and then without buffering salts but with diluted acids, composed of acetonitrile and diluted acids as the second group. We can conclude that the most optimal concepts, in terms of expressiveness and environmental friendliness, were concepts using of column Zorbax CN SB (4.6 mm i.d. × 250 mm, 5 μm) and mobile phase ACN—0.15% NH4H2PO4 (50:50 and 60:40, v/v). There are very poor available data about ideas and usable information about the development of methods for simultaneous determination of these two active substances with polarity differences between them. We suggest that our work offered detailed and successful solutions for the mentioned aim using less sophisticated equipment for quality control and a lab for routine manufacturing control. Acetonitrile ; Chemistry ; Chromatography ; Polarity (international relations) ; Elution ; Dosage form Analytical Chemistry and Chromatography ; Analytical Methods in Pharmaceuticals ; Antibiotics Pharmacokinetics and Efficacy
Authors: Raj Das
Source: International Journal for Research in Applied Science and Engineering Technology (article, 2022-05-31)
Field: Materials Science — Materials Chemistry

Study of the Surface Texture of Magnetron Sputtered Transparent Conducting ZnO:Al films by Atomic Force Microscopy Abstract: Transparent conducting ZnO: Al films with proper surface texture have been developed on glass substrate at 3500C by rf-magnetron sputtering under Ar and Ar+O2 gas ambients. ZnO:Al films exhibit low resistivity (~ 8.9x10-4 Ω-cm), and high optical transmittance (T~ 85% to 90%) in visible region. Study of surface texture ZnO:Al films by dry (hydrogen plasma) etching and wet chemical etching in diluted 0.5% HCl acid solution have been reported in this paper. Due to hydrogen plasma etching surface topography as well as morphology of ZnO:Al films is modified into suitable texture for light scattering. But surface texture is deteriorated drastically for wet chemical etched films. Electrical properties have been improved slightly and optical transmittance remains undeviated due to H-plasma etching but significant changes in electrical and optical properties have been observed in wet chemical etching. Keywords: ZnO:Al films, Surface Texture, Wet Chemical etching, Atomic Force Micrograph, Thin film solar cell Materials science ; Isotropic etching ; Texture (cosmology) ; Etching (microfabrication) ; Sputtering ; Transmittance ; Sputter deposition ; Surface finish ; Surface roughness ; Substrate (aquarium) ; Plasma etching ; Electrical resistivity and conductivity ; Thin film ; Composite material ; Optoelectronics ; Optics ; Nanotechnology ; Layer (electronics) ZnO doping and properties ; Copper-based nanomaterials and applications ; Electron and X-Ray Spectroscopy Techniques
Authors: Daniel Meston
Source: LCGC North America (article, 2022-11-01)
Field: Chemistry — Spectroscopy

Pitfalls in Proteomics: Avoiding Problems That Can Occur Before Data Acquisition Begins The analysis of peptides using liquid chromatography–mass spectrometry (LC–MS) for proteomics applications is powerful and can yield tremendously rich data sets. However, the exquisite sensitivity and global applicability of MS detection also makes it prone to contaminants that can easily and seriously compromise the quality of a data set. A short list of tips and tricks can increase the likelihood of consistently producing good LC–MS data in this context and streamline the troubleshooting process when problems do eventually occur. Troubleshooting ; Context (archaeology) ; Computer science ; Proteomics ; Data set ; Set (abstract data type) ; Data quality ; Data acquisition ; Process (computing) ; Data mining ; Data science ; Chemistry ; Artificial intelligence ; Engineering ; Biology Advanced Proteomics Techniques and Applications ; Mass Spectrometry Techniques and Applications ; Metabolomics and Mass Spectrometry Studies
Authors: Guillaume Krieger
Source: theses.fr (ABES) (preprint, 2022-12-14)
Field: Materials Science — General Materials Science

Structural and orbital engineering in nickelate thin films : on the road of superconductivity The objective of my thesis is to synthesize infinite-layer nickelate Nd1-xSrxNiO2 thin films to study their superconductive properties.The optimization of the 10nm thin films have been the keystone of my work, through a two-step process : the growth of the perovskite phase with pulsed laser deposition, and the reduction in infinite-layer phase through the topotactic reaction. A superconductive transition has been obtained around 11K as observed in literature for 20% Sr-doped thin films. Different doping levels have been measured by soft X-ray absorption in order to study the electronic structure of the material at the resonance of specific elements. A series of resonant inelastic X-ray spectroscopies beamtimes at the ESRF put in evidence the presence of charge order and magnetic excitation as a function of the presence of a capping-layer. Indeed, the intensity of those low-energy excitations were modulated by the Sr doping-level as it could have been observed in cuprates, but also by the presence of a 3-unit cell capping-layer on top of the infinite-layer nickelate. Moreover, NdNiO3/PbZrTiO3 heterostructures have been synthesized to observe the ferroelectric-field effect on the phase transition temperature. Superconductivity ; Thin film ; Materials science ; Condensed matter physics ; Nanotechnology ; Physics Metallurgical and Alloy Processes ; Physics of Superconductivity and Magnetism ; Solidification and crystal growth phenomena
Authors: Jérémy Salvador
Source: SPIRE - Sciences Po Institutional REpository (preprint, 2022-04-01)
Field: Materials Science — Biomaterials

Functionalized biopoylmer microparticles as injectable support for mesenchymal stem cell and cartilage regeneration Articular cartilage pathologies are a major public health problem today. To date, there is no treatment that can repair the cartilage. However, among the therapeutic approaches currently being evaluated, tissue engineering, the objective of which is the formation of neo-tissues, seems to be a promising therapeutic solution.The final objective of this thesis project concerns the development of an injectable genetically activated matrix (MGA), making it possible to control the hypertrophic chondrocyte differentiation of mesenchymal stromal cells (MSCs). To carry out this project, the first objective was to find a nucleic acid vector suitable for the development of an MGA and capable of efficiently transfecting MSCs. We therefore designed a new siRNA nanovector, called solvent exchange lipoplexe formulation (SELF), which has a tunable size, is stable over time in cell culture conditions and possess a high efficiency to transfect primary human mesenchymal stromal cells. We associated SELF with porous collagen 3D microspheres and demonstrated that loading efficiency and release kinetics are correlated with SELF size. This original and unique type of gene activated matrix, with adaptable release kinetics, could be of interest for long-term and/or sequential transfection profiles of stem cells in 3D culture. Thus, we formed different MGAs capable of inducing different inhibition profiles of a specific gene over at least 21 days. Finally, we studied the efficiency of MGA on an in vitro model of chondrocyte differentiation of human MSCs. We have shown that MGA induces a prolonged inhibition of Runx2 gene expression for at least 21 days. Under chondrocyte differentiation conditions, this decrease in Runx2 expression seems to decrease the expression of certain markers of hypertrophy. Despite these promising results, an inhibitory effect of MGA on MSC differentiation remains to be verified. In summary, our work has shown the interest of our approach to control the expression of hypertrophic markers of a neocartilage. More precise control of vector release should improve the efficiency of MGA for cartilage tissue engineering applications. Mesenchymal stem cell ; Regeneration (biology) ; Cartilage ; Biomedical engineering ; Cell biology ; Materials science ; Medicine ; Biology ; Anatomy Electrospun Nanofibers in Biomedical Applications
Authors: Brianna Peterson | Megan Alfieri | David J. Hood | Christian Hettwer | Daniel V. Costantino | Daniel P. Tabor | Nathanael M. Kidwell
Source: ChemRxiv (preprint, 2022-01-31)
Field: Chemistry — Physical and Theoretical Chemistry

Solvent-Mediated Charge Transfer Dynamics of a Model Brown Carbon Aerosol Chromophore: Photophysics of 1-Phenylpyrrole Induced by Water Solvation Nitrogen heterocycles are known to be important light-absorbing chromophores in a relatively new class of aerosols, commonly referred to as ‘brown carbon’ (BrC) aerosols. Due to their significant absorption and spectral overlap with the solar actinic flux, these BrC chromophores steer the physical and optical properties of aerosols. To model the local aqueous solvation environment surrounding BrC chromophores, we generated cold molecular complexes with water and a prototypical BrC chromophore, 1-phenylpyrrole (1PhPy), using supersonic jet-cooling and explored their intermolecular interactions using single-conformation spectroscopy. Herein, we utilized resonant two-photon ionization (R2PI) and UV holeburning (UV HB) double-resonance spectroscopies to obtain a molecular-level understanding of water microsolvation’s role in charge transfer upon photoexcitation of 1PhPy. Quantum chemical calculations and one-dimensional discrete variable representation simulations revealed insights into the charge transfer efficacy of 1PhPy with and without single water molecule addition. Taken together, our results indicate that the intermolecular interactions with water guide the geometry of 1PhPy to adopt a more twisted intramolecular charge transfer (TICT) configuration, thus facilitating charge transfer from the pyrrole donor to the phenyl ring acceptor. Fluorescence measurements with increasing H2O %volume corroborated our gas-phase studies by indicating that a polar water solvation environment stabilizes the TICT configuration of 1PhPy in the excited electronic state, from which emission is observed at lower energy compared to the locally-excited configuration. Solvation ; Chromophore ; Intermolecular force ; Chemistry ; Excited state ; Photochemistry ; Chemical physics ; Photoexcitation ; Spectroscopy ; Acceptor ; Intramolecular force ; Molecule ; Atomic physics ; Organic chemistry Photochemistry and Electron Transfer Studies ; Porphyrin and Phthalocyanine Chemistry ; Luminescence and Fluorescent Materials
Authors: Simon Colanges | Jean-Noël TOURVIEILLE | Pierre LIDON | Jacques LENG
Source: Research Square (preprint, 2022-09-14)
Field: Materials Science — Surfaces, Coatings and Films

2.5D Printing of a Yield Stress Fluid Abstract We report on direct ink writing of a model yield stress fluid and focus on the printability of the first layer, the one in contact with the supporting substrate. We observe a diversity of deposition morphologies that depends on a limited set of operational parameters, mainly ink flow rate, substrate speed and writing density, and also on material properties (e.g., yield stress).Among these morphologies, one of them does not depend on fluid properties (as long as it displays some yield stress) and consists of flat films whose thickness is controllable in a significant range (about 0.1-1 mm) and tunable in real time during printing. We thus demonstrate the ability to print films with thickness gradients and prove that the printing fidelity is mainly due to a competition between yield stress and capillarity. Yield (engineering) ; Substrate (aquarium) ; Materials science ; Deposition (geology) ; Stress (linguistics) ; Composite material ; Layer (electronics) ; Inkwell Surface Modification and Superhydrophobicity ; Fluid Dynamics and Thin Films ; Nanofabrication and Lithography Techniques
Authors: Hao Hu | K. Ullakko
Source:  (preprint, 2022-05-17)
Field: Materials Science — Materials Chemistry

Dissolution of Nickel-Manganese-Gallium Alloys: the first step for manufacturing hybrid micro-devices composed of Ni-Mn-Ga and Silicon layers &lt;p&gt;Our aim is to develop next generation of MEMS (microelectromechanical systems) devices that are composed Ni-Mn-Ga and silicon layers. Due to large magnetic-field-induced strains of Ni-MnGa, actuating components can be fabricated in the Ni-Mn-Ga layers. Other functional components can be manufactured in silicon layer. Single crystalline Ni-Mn-Ga alloys that are grown by using the Bridgman vertical growth technique obtained so far the largest Magnetic Field Induced Strain (MFIS), a Magnetic Shape Memory (MSM) effect. Like silicon wafers, Ni-Mn-Ga wafers are also sliced from crystal-oriented single crystalline ingots. For fabricating hybrid MEMS devices such as micromanipulators and robots, lab-on-chip containing micro-pump manifolds and valves, or vibration energy harvesters, the fabrication processes used for MEMS devices will be used also for fabricating components in the NiMn-Ga layer of the hybrid MEMS devices. One of the most important processes for MEMS fabrication is the structuring of materials by chemical etching. Main goal of this study is to prove the etchant that etches silicon but not Ni-Mn-Ga and to find an etchant that etches Ni-Mn-Ga but not silicon. The present paper reports on a novel experiment about dissolving Ni-Mn-Ga alloys. An etchant composition of 69% HN𝑂3, 98% 𝐻2𝑆𝑂4, and CuSO4 • 5H2O is proposed for dissolving NiMn-Ga alloys and the variation of the dissolution rate by adjusting the concentrations of HNO3 and ultrapure water (UPW) is demonstrated. This etchant was demonstrated to etch Ni-Mn-Ga but not silicon. An HF + HNO3 acid solution commonly used for etching silicon does not dissolve Ni-MnGa.&lt;/p&gt; Materials science ; Wafer ; Silicon ; Dissolution ; Gallium ; Microelectromechanical systems ; Etching (microfabrication) ; Fabrication ; Optoelectronics ; Nickel ; Layer (electronics) ; Manganese ; Metallurgy ; Nanotechnology ; Chemical engineering Shape Memory Alloy Transformations
Authors: J. D. Mills
Source: arXiv (Cornell University) (preprint, 2022-11-13)
Field: Chemistry — Organic Chemistry

Applications of the Spectral Theory of Chemical Bonding to Simple Hydrocarbons The finite-basis, pair formulation of the Spectral Theory of chemical bonding is briefly surveyed. Solutions of the Born-Oppenheimer polyatomic Hamiltonian totally antisymmetric in electron exchange are obtained from diagonalization of an aggregate matrix built up from conventional diatomic solutions to atom-localized problems. A succession of transformations of the bases of the underlying matrices and the unique character of symmetric orthogonalization in producing the archived matrices calculated "once-of-all" in the pairwise-antisymmetrized basis are described. Application is made to molecules containing hydrogens and a single carbon atom. Results in conventional orbital bases are given and compared to experimental and high-level theoretical results. Chemical valence is shown to be respected and subtle angular effects in polyatomic contexts are reproduced. Means of reducing the size of the atomic-state basis and improve the fidelity of the diatomic descriptions for fixed basis size, so as to enable application to larger polyatomic molecules, is outlined along with future initiatives and prospects. Polyatomic ion ; Diatomic molecule ; Hamiltonian (control theory) ; Basis (linear algebra) ; Hamiltonian matrix ; Chemistry ; Antisymmetric relation ; Molecule ; Computational chemistry ; Orthogonalization ; Chemical bond ; Atomic physics ; Quantum mechanics ; Theoretical physics ; Physics ; Eigenvalues and eigenvectors ; Mathematics ; Geometry Chemical Thermodynamics and Molecular Structure ; Various Chemistry Research Topics ; Computational Drug Discovery Methods
Authors: Xiang Shen | Liye Zhao | Fei Ge
Source: Micromachines (article, 2022-09-28)
Field: Materials Science — Materials Chemistry

Structural Optimization and MEMS Implementation of the NV Center Phonon Piezoelectric Device The nitrogen-vacancy (NV) center of the diamond has attracted widespread attention because of its high sensitivity in quantum precision measurement. The phonon piezoelectric device of the NV center is designed on the basis of the phonon-coupled regulation mechanism. The propagation characteristics and acoustic wave excitation modes of the phonon piezoelectric device are analyzed. In order to improve the performance of phonon-coupled manipulation, the influence of the structural parameters of the diamond substrate and the ZnO piezoelectric layer on the phonon propagation characteristics are analyzed. The structure of the phonon piezoelectric device of the NV center is optimized, and its Micro-Electro-Mechanical System (MEMS) implementation and characterization are carried out. Research results show that the phonon resonance manipulation method can effectively increase the NV center's spin transition probability using the MEMS phonon piezoelectric device prepared in this paper, improving the quantum spin manipulation efficiency. Phonon ; Piezoelectricity ; Materials science ; Diamond ; Condensed matter physics ; Microelectromechanical systems ; Optoelectronics ; Physics ; Composite material Diamond and Carbon-based Materials Research ; High-pressure geophysics and materials ; Electronic and Structural Properties of Oxides
Authors: Jake Thompson | Rebeca González‐Cabaleiro | Laia Vilà‐Nadal
Source: ChemRxiv (preprint, 2022-11-07)
Field: Materials Science — Materials Chemistry

Structural and Electronic Properties of Aqueous Transition−Metal−Substituted Polyoxotungstates Polyoxometalates (POMs) are a discrete class of polyanionic metal−oxo aggregates with a large diversity of topologies, structural flexibility, and functionality at the nanoscale. Controlled base treatment of these compounds produces monolacunary polyanions that behave as multi−dentate ligands, generating a class of compounds known as transition metal substituted POMs. These compounds demonstrate excellent redox stability, making them are integral precursors for electrochemical processes. In this work, Density Functional Theory (DFT) calculations have been employed to systematically studied the accuracy of various exchange−correlation functions in describing the properties of transition−metal−substituted polyoxotungstates which are integral precursors for electrochemical processes. Molecular geometries were optimized using several generalized gradient approximations (GGA), hybrid, and long−range−corrected GGA (LC−GGA) with whom all agreed well with experimental crystallographic results. We report the standard reduction potentials, U0red vs NHE, for the pH−independent redox processes present in Keggin [M(H2O)PW11O39]5−; M = Mn(III/II), Fe(III/II), Co(III/II), and Ru(III/II)) anions calculated as a function of Hartree−Fock (HF) exchange and provide insight into the electronic properties controlling it. Transition metal ; Electrochemistry ; Density functional theory ; Redox ; Chemistry ; Aqueous solution ; Metal ; Electronic structure ; Computational chemistry ; Materials science ; Topology (electrical circuits) ; Physical chemistry ; Crystallography ; Inorganic chemistry ; Catalysis ; Electrode ; Organic chemistry Polyoxometalates: Synthesis and Applications ; Metal-Organic Frameworks: Synthesis and Applications ; Conducting polymers and applications