jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Stavros Paspalakis | Konstantia Moirogiorgou | Nikos Papandroulakis | George Giakos | Michalis Zervakis
Source: IET Image Processing (article, 2020-06-12)
Field: Chemistry — Analytical Chemistry

Automated fish cage net inspection using image processing techniques Fish‐cage dysfunction in aquaculture installations can trigger significant negative consequences affecting the operational costs. Low oxygen levels, due to excessive fooling's, leads to decrease growth performance, and feed efficiency. Therefore, frequent periodic inspection of fish‐cage nets is required, but this task can become quite expensive with the traditional means of employing professional divers that perform visual inspections at regular time intervals. The modern trend in aquaculture is to take advantage of IT technologies with the use of a small‐sized, low‐cost autonomous underwater vehicle, permanently residing within a fish cage and performing regular video inspection of the infrastructure for the entire net surface. In this study, we explore specialised image processing schemes to detect net holes of multiple area size and shape. These techniques are designed with the vision to provide robust solutions that take advantage of either global or local image structures to provide the efficient inspection of multiple net holes. Cage ; Computer science ; Fish <Actinopterygii> ; Image processing ; Net (polyhedron) ; Computer vision ; Artificial intelligence ; Pattern recognition (psychology) ; Image (mathematics) ; Fishery ; Mathematics ; Engineering ; Biology ; Structural engineering Spectroscopy and Chemometric Analyses ; Water Quality Monitoring Technologies ; Identification and Quantification in Food
Authors: Abdeljalil Ait Ichou | Ridouan Benhiti | Mhamed Abali | Abdelkader Dabagh | Mohamed Chiban | Mohamed Zerbet | Gabriela Cârjă | Fouad Sinan
Source: Desalination and Water Treatment (article, 2020-02-01)
Field: Materials Science — Materials Chemistry

Adsorption of Pb(II) from aqueous solutions onto MgFeAl-CO3 LDH: thermodynamic and kinetic studies Aqueous solution ; Kinetic energy ; Adsorption ; Thermodynamics ; Chemistry ; Chemical engineering ; Physical chemistry ; Physics ; Engineering ; Classical mechanics Layered Double Hydroxides Synthesis and Applications ; Adsorption and biosorption for pollutant removal ; Extraction and Separation Processes
Authors: Vladіslav Sadykov | A. V. Shlyakhtina | Н. В. Лысков | E. M. Sadovskaya | Svetlana V. Cherepanova | Nikita Eremeev | V. V. Skazka | В. Б. Гончаров | E. P. Kharitonova
Source: Ionics (article, 2020-05-26)
Field: Materials Science — Materials Chemistry

Oxygen diffusion in Mg-doped Sm and Gd zirconates with pyrochlore structure Pyrochlore ; Oxygen ; Materials science ; Diffusion ; Oxygen transport ; Oxide ; Grain boundary ; Doping ; Hydrogen ; Analytical Chemistry (journal) ; Chemistry ; Microstructure ; Metallurgy ; Thermodynamics ; Physics Nuclear materials and radiation effects ; Nuclear Materials and Properties ; Advanced Condensed Matter Physics
Authors: Laroussi Chaabane | Emmanuel Beyou | Dominique Luneau | Mohamed Hassen V. Baouab
Source: Journal of Catalysis (article, 2020-04-29)
Field: Chemistry — Organic Chemistry

Functionalization of graphene oxide sheets with magnetite nanoparticles for the adsorption of copper ions and investigation of its potential catalytic activity toward the homocoupling of alkynes under green conditions Chemistry ; Graphene ; Catalysis ; Surface modification ; Copper ; Adsorption ; Oxide ; Magnetite ; Nanoparticle ; Nanotechnology ; Ion ; Inorganic chemistry ; Heterogeneous catalysis ; Chemical engineering ; Organic chemistry ; Metallurgy ; Physical chemistry ; Materials science Nanomaterials for catalytic reactions ; Nanocluster Synthesis and Applications ; Chemical Synthesis and Reactions
Authors: E. Redekop | Andrea Lazzarini | Silvia Bordiga | Unni Olsbye
Source: Journal of Catalysis (article, 2020-04-08)
Field: Chemistry — Inorganic Chemistry

A temporal analysis of products (TAP) study of C2-C4 alkene reactions with a well-defined pool of methylating species on ZSM-22 zeolite Reactions between alkenes and methanol or dimethyl ether (DME) on zeolite catalysts are involved in industrial processes that are highly relevant for the transition to renewable carbon sources, such as the Methanol-To-Hydrocarbons (MTH) process. In MTH chemistry, alkene methylation increases the length of product carbon chains, and its relative rate with respect to other reactions largely controls the overall selectivity. Experimental studies of alkene methylation present a considerable challenge because they are typically accompanied by cracking, hydrogen transfer, and aromatization reactions. Herein, the pulse-response Temporal Analysis of Products (TAP) methodology and complementary FTIR measurements were employed to isolate a well-defined population of surface species, consistent with Surface Methoxy Species (SMS) on Bronsted acid sites that are reactive in alkene methylation on a ZSM-22 (TON) zeolite. Their coverage was determined by TAP titration to be ca. 5% of the total amount of Brønsted acid sties, which was also indirectly suggested by FTIR data. C2-C4 alkenes were quantitatively reacted with SMS to precisely measure the intrinsic kinetic parameters of isolated alkene methylation steps. The rate constants increased and the activation energies decreased as functions of the carbon number (EC2H4 = 52 kJ/mol > EC3H6 = 32 kJ/mol > Ec-C4H8 = 16 kJ/mol). However, the rate constant for iso-butene was comparable to propene, despite its activation energy (Ei-C4H8 = 19 kJ/mol) being much lower than propene’s. This effect is in agreement with the increased steric hindrance predicted by DFT for isobutene adsorption and methylation in TON zeolites. Our results considerably extend previously available TAP data on alkene methylation reactions and furthermore validate ab initio models of these crucial steps in the complex MTH chemistry on acidic zeolites. Chemistry ; Alkene ; Propene ; Catalysis ; Zeolite ; Carbocation ; Photochemistry ; Inorganic chemistry ; Organic chemistry ; Medicinal chemistry Zeolite Catalysis and Synthesis ; Catalysis and Oxidation Reactions ; Catalytic Processes in Materials Science
Authors: Bo Feng | Zhenhang Wang | Yunhao Fan | Jinghua Gu | Yue Zhang
Source: Journal of Advanced Ceramics (article, 2020-06-19)
Field: Materials Science — Ceramics and Composites

Creep deformation behavior during densification of ZrB2-SiBCN ceramics with ZrO2 additive Abstract ZrB 2 -SiBCN ceramics with ZrO 2 additive are hot-pressed under a constant applied pressure. The densification behavior of the composites is studied in a view of creep deformation by means of the Bernard-Granger and Guizard model. With determination of the stress exponent ( n ) and the apparent activation energy ( Q d ), the specific deformation mechanisms controlling densification are supposed. Within lower temperature ranges of 1300–1400 °C, the operative mechanism is considered to be grain boundary sliding accommodated by atom diffusion of the polymer-derived SiBCN ( n = 1, Q d = 123±5 kJ/mol) and by viscous flow of the amorphous SiBCN ( n = 2, Q d = 249±5 kJ/mol). At higher temperatures, the controlling mechanism transforms to lattice or intra-granular diffusion creep ( n = 3–5) due to gradual consumption of the amorphous phase. It is suggested that diffusion of oxygen ions inside ZrO 2 into the amorphous SiBCN decreases the viscosity, modifies the fluidity, and contributes to the grain boundary mobility. Materials science ; Amorphous solid ; Creep ; Ceramic ; Composite material ; Grain boundary ; Activation energy ; Diffusion ; Deformation mechanism ; Lattice diffusion coefficient ; Grain Boundary Sliding ; Microstructure ; Thermodynamics ; Effective diffusion coefficient ; Crystallography ; Physical chemistry ; Chemistry Advanced ceramic materials synthesis ; Advanced materials and composites ; MXene and MAX Phase Materials
Authors: Suk‐Joong L. Kang
Source: Materials (review, 2020-08-13)
Field: Materials Science — Ceramics and Composites

What We Should Consider for Full Densification when Sintering To fully densify a powder compact, we should avoid two things: (i) entrapment of insoluble gases within pores and (ii) entrapment of isolated pores within grains. This paper describes general directions for promoting full densification in view of the above two points. Emphasis is placed on ways to potentially prevent pore entrapment in terms of grain growth control. Currently available techniques that can enhance densification while suppressing grain growth are briefly described, and their major mechanisms are discussed. Sintering ; Entrapment ; Materials science ; Grain growth ; Grain size ; Composite material Advanced ceramic materials synthesis ; Advanced materials and composites ; Powder Metallurgy Techniques and Materials
Authors: Yang Li | Nasr M. Ghoniem
Source: Journal of Nuclear Materials (article, 2020-07-14)
Field: Materials Science — Materials Chemistry

Cluster dynamics modeling of irradiation growth in single crystal Zr Nucleation ; Vacancy defect ; Cluster (spacecraft) ; Crystallographic defect ; Materials science ; Irradiation ; Dislocation ; Crystal growth ; Crystallography ; Condensed matter physics ; Molecular physics ; Thermodynamics ; Chemistry ; Physics ; Nuclear physics Nuclear Materials and Properties ; Fusion materials and technologies ; Nuclear materials and radiation effects
Authors: M. Pečovnik | E.A. Hodille | T. Schwarz‐Selinger | C. Grisolia | S. Markelj
Source: Nuclear Fusion (article, 2020-01-06)
Field: Materials Science — Materials Chemistry

New rate equation model to describe the stabilization of displacement damage by hydrogen atoms during ion irradiation in tungsten Author: Pecovnik, M. et al.; Genre: Journal Article; Issued: 2020; Open Access; Title: New rate equation model to describe the stabilization of displacement damage by hydrogen atoms during ion irradiation in tungsten Tungsten ; Ion ; Irradiation ; Deuterium ; Materials science ; Displacement (psychology) ; Hydrogen ; Atomic physics ; Radiochemistry ; Physics ; Nuclear physics ; Chemistry ; Metallurgy Fusion materials and technologies ; Nuclear Materials and Properties ; Ion-surface interactions and analysis
Authors: Holly E. Bonfield | Damien Valette | David M. Lindsay | Marc Reid
Source: Chemistry - A European Journal (review, 2020-08-03)
Field: Chemistry — Inorganic Chemistry

Stereoselective Remote Functionalization via Palladium‐Catalyzed Redox‐Relay Heck Methodologies Exploration of novel, three-dimensional chemical space is of growing interest in the drug discovery community and with this comes the challenge for synthetic chemists to devise new stereoselective methods to introduce chirality in a rapid and efficient manner. This Minireview provides a timely summary of the development of palladium-catalyzed asymmetric redox-relay Heck-type processes. These reactions represent an important class of transformation for the selective introduction of remote stereocenters, and have risen to prominence over the past decade. Within this Minireview, the vast scope of these transformations will be showcased, alongside applications to pharmaceutically relevant chiral building blocks and drug substances. To complement this overview, a mechanistic summary and discussion of the current limitations of the transformation are presented, followed by an outlook on future areas of investigation. Stereocenter ; Scope (computer science) ; Combinatorial chemistry ; Palladium ; Stereoselectivity ; Drug discovery ; Chemical space ; Computer science ; Nanotechnology ; Biochemical engineering ; Chemistry ; Enantioselective synthesis ; Catalysis ; Materials science ; Engineering ; Organic chemistry Asymmetric Hydrogenation and Catalysis ; Catalytic C–H Functionalization Methods ; Catalytic Cross-Coupling Reactions
Authors: Dan Wu | Kim van Dongen | Wojciech Szymczyk | Paul J. Besseling | Ruth Cardinaels | Giulia Marchioli | Marcel H. P. van Genderen | Carlijn V. C. Bouten | Anthal I.P.M. Smits | Patricia Y. W. Dankers
Source: Frontiers in Materials (article, 2020-07-10)
Field: Materials Science — Biomaterials

Optimization of Anti-kinking Designs for Vascular Grafts Based on Supramolecular Materials Synthetic vascular grafts to be applied as access grafts for hemodialysis often require anti-kinking properties. Previously, electrospun microporous vascular implants based on synthetic supramolecular materials have been shown to perform adequately as resorbable grafts due to the microstructures, thereby enabling attraction of endogenous cells and consecutive matrix production in situ. Here, we use supramolecular materials based on hydrogen bonding interactions between bisurea (BU) or 2-ureido-4[1H]-pyrimidinones (UPy) to produce microporous anti-kinking tubular structures by combining solution electrospinning with 3D printing. A custom-made rational axis for 3D printing was developed to produce controlled tubular structures with freedom in design in order to print complex tubular architectures without supporting structures. Two different tubular grafts were developed, both composed of a three-layered design with a 3D printed spiral sandwiched in between luminal and adventitial electrospun layers. One tubular scaffold was composed of BU-polycarbonate electrospun layers with 3D printed polycaprolactone (PCL) strands in between for dimensional stability, and the other graft fully consisted of supramolecular polymers, using chain-extended UPy-PCL as electrospun layers and a bifunctional UPy-PCL for 3D printing. Both grafts, with a 3D printed spiral, demonstrated a reproducible dimensional stability and anti-kinking behavior under bending stresses. Materials science ; Microporous material ; Polycaprolactone ; Electrospinning ; Nanofiber ; Supramolecular chemistry ; Biofabrication ; 3d printed ; Nanotechnology ; Biomedical engineering ; Tissue engineering ; Composite material ; Polymer ; Chemistry Electrospun Nanofibers in Biomedical Applications ; Supramolecular Self-Assembly in Materials ; Polymer composites and self-healing
Authors: Peter Andersson Ersman | Marzieh Zabihipour | Deyu Tu | Roman Lassnig | Jan Strandberg | Jessica Åhlin | Marie Nilsson | David Westerberg | G. Gustafsson | Magnus Berggren | Robert Forchheimer | Simone Fabiano
Source: Flexible and Printed Electronics (article, 2020-02-27)
Field: Materials Science — Polymers and Plastics

Monolithic integration of display driver circuits and displays manufactured by screen printing Abstract Here, we report all-screen printed display driver circuits, based on organic electrochemical transistors (OECTs), and their monolithic integration with organic electrochromic displays (OECDs). Both OECTs and OECDs operate at low voltages and have similar device architectures, and, notably, they rely on the very same electroactive material as well as on the same electrochemical switching mechanism. This then allows us to manufacture OECT-OECD circuits in a concurrent manufacturing process entirely based on screen printing methods. By taking advantage of the high current throughput capability of OECTs, we further demonstrate their ability to control the light emission in traditional light-emitting diodes (LEDs), where the actual LED addressing is achieved by an OECT-based decoder circuit. The possibility to monolithically integrate all-screen printed OECTs and OECDs on flexible plastic foils paves the way for distributed smart sensor labels and similar Internet of Things applications. Electronic circuit ; Diode ; Active matrix ; OLED ; Transistor ; Light-emitting diode ; Integrated circuit ; Printed electronics ; Materials science ; Computer science ; Computer hardware ; Screen printing ; Flexible display ; Optoelectronics ; Nanotechnology ; Electronics ; Electrical engineering ; Voltage ; Engineering ; Thin-film transistor ; Layer (electronics) Conducting polymers and applications ; Advanced Sensor and Energy Harvesting Materials ; Organic Electronics and Photovoltaics
Authors: Ikechukwu S. Anyanwu | Zhiqiang Niu | Daokuan Jiao | Aezid-Ul-Hassan Najmi | Zhi Liu | Kui Jiao
Source: Energies (article, 2020-05-28)
Field: Materials Science — Surfaces, Coatings and Films

Liquid Water Transport Behavior at GDL-Channel Interface of a Wave-Like Channel This paper evaluates the liquid water at the gas diffusion layer-channel (GDL-channel) interface of reconstructed GDL microstructures with uniform and non-uniform fiber diameters in wave-like channels. A non-uniform GDL microstructure is reconstructed for the first time at the GDL-channel interface to evaluate droplet motion. The three-layer GDL microstructures are generated using the stochastic technique and implemented using the OpenFOAM computational fluid dynamics (CFD) software (OpenFOAM-6, OpenFOAM Foundation Ltd., London, UK). The present study considers the relationship between reconstructed GDL surfaces with varying fiber diameters, wettability, superficial inlet velocity and droplet size. Results show that the droplet detachment and the average droplet velocity decrease with an increase in the fiber diameter as well as the structural arrangement of the fibers. Under the non-uniform fiber arrangement, the removal rate of water droplets is not significantly improved. However, the choice of smaller fiber diameters facilitates the transport of droplets, as hydrophobicity increases even at slight surface roughness. The results also indicate that the average droplet velocity decreases under low inlet velocity conditions while increasing under high inlet velocity conditions. Therefore, the structural make-up of the GDL-channel interface influences the droplet dynamics, and the implementation of a non-uniform GDL structure should also be considered in the GDL designs. Inlet ; Wetting ; Fiber ; Channel (broadcasting) ; Mechanics ; Microstructure ; Materials science ; Diffusion ; Volume of fluid method ; Surface finish ; Computational fluid dynamics ; Composite material ; Mechanical engineering ; Flow (mathematics) ; Engineering ; Telecommunications ; Physics ; Thermodynamics Surface Modification and Superhydrophobicity ; Lattice Boltzmann Simulation Studies ; Aerosol Filtration and Electrostatic Precipitation
Authors: Didem Peren Aykas | Christopher Ball | Amanda Sia | K. J. Zhu | Mei‐Ling Shotts | Anna Schmenk | Luis Rodriguez‐Saona
Source: Sensors (article, 2020-11-04)
Field: Chemistry — Analytical Chemistry

In-Situ Screening of Soybean Quality with a Novel Handheld Near-Infrared Sensor This study evaluates a novel handheld sensor technology coupled with pattern recognition to provide real-time screening of several soybean traits for breeders and farmers, namely protein and fat quality. We developed predictive regression models that can quantify soybean quality traits based on near-infrared (NIR) spectra acquired by a handheld instrument. This system has been utilized to measure crude protein, essential amino acids (lysine, threonine, methionine, tryptophan, and cysteine) composition, total fat, the profile of major fatty acids, and moisture content in soybeans (<i>n</i> = 107), and soy products including soy isolates, soy concentrates, and soy supplement drink powders (<i>n</i> = 15). Reference quantification of crude protein content used the Dumas combustion method (AOAC 992.23), and individual amino acids were determined using traditional protein hydrolysis (AOAC 982.30). Fat and moisture content were determined by Soxhlet (AOAC 945.16) and Karl Fischer methods, respectively, and fatty acid composition via gas chromatography-fatty acid methyl esterification. Predictive models were built and validated using ground soybean and soy products. Robust partial least square regression (PLSR) models predicted all measured quality parameters with high integrity of fit (R<sub>Pre</sub> ≥ 0.92), low root mean square error of prediction (0.02-3.07%), and high predictive performance (RPD range 2.4-8.8, RER range 7.5-29.2). Our study demonstrated that a handheld NIR sensor can supplant expensive laboratory testing that can take weeks to produce results and provide soybean breeders and growers with a rapid, accurate, and non-destructive tool that can be used in the field for real-time analysis of soybeans to facilitate faster decision-making. Soy protein ; Food science ; Partial least squares regression ; Fatty acid ; Chemistry ; Methionine ; Flavor ; Chromatography ; Amino acid ; Biochemistry ; Computer science ; Machine learning Spectroscopy and Chemometric Analyses ; Soybean genetics and cultivation ; Advanced Chemical Sensor Technologies
Authors: Pedro Augusto Machado Vitor | Janio Venturini | J.B.M. da Cunha | Carlos Pérez Bergmann
Source: Journal of Alloys and Compounds (article, 2020-08-22)
Field: Materials Science — Materials Chemistry

The influence of cation distribution on the magnetic properties of mixed Co1-yNiyFe2O4 nanoferrites produced by the sol-gel method Ferrimagnetism ; Spinel ; Materials science ; Magnetic moment ; Ferrite (magnet) ; Annealing (glass) ; Analytical Chemistry (journal) ; Coercivity ; Chemical engineering ; Nuclear magnetic resonance ; Chemistry ; Magnetization ; Metallurgy ; Condensed matter physics ; Magnetic field ; Composite material Magnetic Properties and Synthesis of Ferrites ; Multiferroics and related materials ; Iron oxide chemistry and applications
Authors: Christopher C. Beto | Charles J. Zeman | Yajing Yang | James D. Bullock | Ethan Holt | Alexander Q. Kane | Tegan A. Makal | Xi Yang | Ion Ghiviriga | Kirk S. Schanze | Adam S. Veige
Source: Inorganic Chemistry (article, 2020-01-21)
Field: Chemistry — Organic Chemistry

An Application Exploiting Aurophilic Bonding and iClick to Produce White Light Emitting Materials The paper focuses on exploiting aurophilic bonding to produce white light emitting materials. Inorganic Click (iClick) is employed to link two or four Au(I) metal ions through a triazolate bridge. Depending on the choice of phosphine ligand (PEt<sub>3</sub> or PPh<sub>3</sub>), dinuclear Au<sub>2</sub>-FO or tetranuclear Au<sub>4</sub>-FO complexes can be controllably synthesized (FO = 2-(9,9-dioctylfluoreneyl-)). The iClick products Au<sub>2</sub>-FO and Au<sub>4</sub>-FO are characterized by combustion analysis and multinuclear NMR, TOCSY 1D, <sup>1</sup>H-<sup>13</sup>C gHMBC, and <sup>1</sup>H-<sup>13</sup>C gHSQC. In addition, the photophysical properties of Au<sub>2</sub>-FO and Au<sub>4</sub>-FO were examined in THF solution. Transient absorption spectroscopy was employed to elucidate the excited state features of the gold compounds. Solution processed OLEDs were fabricated and characterized, which gave white light electroluminescence with CIE coordinates (0.34, 0.36), as seen referenced to CIE standard illuminant D65 (0.31, 0.32). TDDFT computational analysis of Au<sub>2</sub>-FO and Au<sub>4</sub>-FO reveals the origin of light emission. In the case of Au<sub>4</sub>-FO, direct excitation leads to increased aurophilic bonding in the excited state, and as a result the emission profile is broadened to cover a larger region of the visible spectrum, thus giving white light emission. Designing molecules that can access or increase aurophilic bonding in the excited state provides another tool for fine-tuning the emission profiles of gold complexes. Chemistry ; White light ; White (mutation) ; Nanotechnology ; Optoelectronics Click Chemistry and Applications ; Advanced Computing and Algorithms ; Conducting polymers and applications