jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: С. А. Кузнецов | Н. А. Николаев | S. A. Trashkeev | Pavel A. Lazorskiy | А. В. Аржанников
Source: Siberian Journal of Physics (article, 2019-01-01)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Application of the Concept of Ultra-Thin Resonant Absorbers for Controlling Millimeter-Wave Radiation by Means of Liquid Crystals A consideration of ultra-thin resonant absorbers of electromagnetic radiation utilizing high-impedance metasurfaces is carried out in terms of an equivalent circuit theory. By incorporating a thin layer of tunable dielectric into such structures it is feasible to manipulate the radiation amplitude and phase under the condition of a small thickness of the dielectric layer in comparison with the radiation wavelength. As such a dielectric, the nematic liquid crystal 5CB with a thickness of 80 um was chosen, and a 5CB-based prototype of an absorbing metastructure of the reflective type optimized for operation in the vicinity of a frequency of 140 GHz was fabricated and experimentally studied. Testing the structure revealed good agreement between the calculated and experimental reflection spectra. The results of this work can be useful for modeling and developing quasi-optical and integrated active devices of terahertz photonics. Materials science ; Terahertz radiation ; Dielectric ; Liquid crystal ; Optics ; Optoelectronics ; Radiation ; Millimeter ; Electromagnetic radiation ; Wavelength ; Reflection (computer programming) ; Thin film ; Phase (matter) ; Physics ; Nanotechnology ; Computer science Metamaterials and Metasurfaces Applications ; Advanced Antenna and Metasurface Technologies ; Terahertz technology and applications
Authors: Kayla X. Nguyen
Source: eCommons (Cornell University) (article, 2019-04-03)
Field: Materials Science — Surfaces, Coatings and Films

NEW IMAGING CAPABILITIES FOR MATERIALS ENABLED BY THE ELECTRON MICROSCOPE PIXEL ARRAY DETECTOR (EMPAD) Transmission electron microscopy is a ubiquitous tool for materials and biological characterization from the micron to atomic scales. While the most common use of transmission electron microscopy is to determine atomic-scale structures, from the protein signatures of Alzheimer?s disease to the arrangement of atoms within a transistor, the scattered electron beam encodes a wealth of information about the structure, chemistry, electrical, optical, and magnetic properties of matter. Conventional electron detectors, however, discard much of this information. A next frontier of atomic scale characterization of matter will be to detect, analyze, and utilize these new scattering signals. Here, a new generation of direct imaging detectors have already enabled pioneering work for cryo-electron microscopy to solve structures of biomolecules, giving us an atomic-scale view into the intricate workings of life and winning the Nobel Prize in Chemistry in 2017. To go beyond traditional electron microscopy techniques, new detectors must also be developed for diffraction imaging. During my PhD at Cornell, I developed and co-invented the Electron Microscope Pixel Array Detector (EMPAD), a fast, highly efficient ?universal? detector for the electron microscope that is designed to re-capture and harness this missing information. The EMPAD is poised to have broad scientific and technological impact: we have licensed the EMPAD design to FEI, a subsidiary of Thermo Fisher Scientific. Moreover, in the two years since the first paper was published demonstrating the use of the EMPAD, initial studies applying the EMPAD to various materials and biological systems have demonstrated its broad, cross-disciplinary impact. In my dissertation, I will talk about: previous works on diffraction imaging and STEM diffraction detectors available in the field (Chapter 1), the capabilities of the EMPAD (Chapter 2), the EMPAD?s use for imaging magnetic fields and magnetic phases in FeGe thin films (Chapter 3), and new physics from ferroelectric polarization vortices (Chapter 4). In Chapter 5, I will discuss the future works that can be done with EMPAD. In fact, it is extremely encouraging to know that the imaging examples described in this thesis only represent a small fraction of the potential impact the EMPAD can achieve for the field of electron microscopy. Microscope ; Electron microscope ; Pixel ; Detector ; Optics ; Materials science ; Computer science ; Nanotechnology ; Computer vision ; Physics Electron and X-Ray Spectroscopy Techniques
Authors: Hisham Abu-Ali | A. Nabok | Thomas J. Smith | M. Al-Shanawa
Source: BioNanoScience (article, 2019-03-07)
Field: Chemistry — Electrochemistry

Development of a Novel Electrochemical Inhibition Sensor Array Based on Bacteria Immobilized on Modified Screen-Printed Gold Electrodes for Water Pollution Detection The development of a novel and simple inhibition biosensor array for detection of water pollutants based on bacteria immobilized on the surface of the electrodes is the main goal of this work. A series of electrochemical measurements (i.e., cyclic voltammograms) were carried out on modified screen-printed gold electrodes with three types of bacteria, namely Escherichia coli, Shewanella oneidensis, and Methylococcus capsulatus (Bath), immobilized via poly l-lysine. For comparison purposes, similar measurements were carried out on bacteria samples in solutions; also optical measurements (fluorescence microscopy, optical density, and flow cytometry) were performed on the same bacteria in both liquid and immobilized forms. The study of the effect of heavy metal ions (lead), pesticides (atrazine), and petrochemicals (hexane) on DC electrochemical characteristics of immobilized bacteria revealed a possibility of pattern recognition of the above inhibition agents in an aquatic environment. Shewanella oneidensis ; Biosensor ; Bacteria ; Chemistry ; Electrochemistry ; Electrode ; Fluorescence ; Chromatography ; Biochemistry ; Biology Electrochemical Analysis and Applications ; Analytical Chemistry and Sensors ; Microbial Fuel Cells and Bioremediation
Authors: Bowei Chen
Source: theses.fr (ABES) (preprint, 2019-07-10)
Field: Materials Science — Biomaterials

Detection of fouling factor by ultrasonic coda wave during contamination and cleaning of solid substrate L’encrassement des équipements a lieu dans de nombreux secteurs industriels. Parexemple, la contamination des surfaces de contact avec les aliments, provoquée par un encrassement, entrainent des pertes économiques considérables et augmentent les risques de santé publique. Le nettoyage de l’encrassement est généralement réalisé à l’aide de produits chimiques très polluants. Par conséquent, il est important de développer des dispositifs permettant de surveiller la formation/l’élimination des encrassements sur ces surfaces (sans perturber la production) afin de réduire les risques microbiologiques, les impacts environnementaux et économiques liés aux processus de nettoyage. Dans ce travail, on s’intéresse à la détection du facteur d’encrassement à l’aide d’une méthode ultrasonore non invasive, dite “interférométrie d’ondes de coda”, abrégée en anglais (CWI). Cette technique a été testée pour différents types d’applications (Nettoyage de cire, détection de la formation de biofilm et nettoyage de dépôts protéiques). Les résultats obtenus sont très prometteurs et montrent que la CWI est capable de déceler même un léger changement du facteur d’encrassement. En particulier, l’évolution du coefficient de décorrélation pour chaque application montre une bonne concordance avec l’état d’encrassement réel de la surface. Dans l’ensemble, ces travaux fournissent un ensemble de preuves montrant que la méthode CWI, est applicable au suivi du facteur d’encrassement de dépôts sur des surfaces solides. Fouling ; Biofouling ; Contamination ; Decorrelation ; Materials science ; Cleaning agent ; Environmental science ; Pulp and paper industry ; Ultrasonic sensor ; Environmental engineering ; Process engineering ; Engineering ; Chemistry ; Computer science ; Acoustics ; Physics Calcium Carbonate Crystallization and Inhibition ; Minerals Flotation and Separation Techniques
Authors: Shuai Wang | He Xue | Yinghao Cui | Fuqiang Yang | Rui Guo
Source: Advances in Materials Science and Engineering (article, 2019-06-11)
Field: Materials Science — Metals and Alloys

An Approach to Estimate SCC Growing Rate in Slow Strain Rate Tensile Test Based on EPFEM The slow strain rate tensile test (SSRT) is a common means to investigate stress corrosion cracking (SCC) in key engineering structural materials of light-water reactors, and it is an important task to real-time monitor the crack growing length and rate of the specimen during the test. Because the specimen is placed in an autoclave with high-pressure and high-temperature water environment-simulated light-water reactor, the current potential drop method, which includes current potential drop (DCPD) and alternating current potential drop (ACPD), is the main means to real-time monitor crack growth rate in the SCC test. As a supplementary means to obtain the crack growth rate during the test, the SSRT process of nickel-based Alloy 600 CT specimens is investigated by using the elastic-plastic finite element method (EPFEM) in this paper. Based on the consideration that both the elastic-plastic deformation and crack length of the specimen would affect the relationship between the load and the displacement of the loading point during the SSRT test, the relationship between the loading point displacement caused by crack propagation Δ L c and plastic deformation Δ L p is separated by EPFEM. Then, the SCC crack growth rate and the real-time crack length are obtained. This proposed approach could be used to improve the test results in the SSRT test. Materials science ; Strain rate ; Slow strain rate testing ; Stress corrosion cracking ; Composite material ; Autoclave ; Tensile testing ; Cracking ; Crack growth resistance curve ; Crack closure ; Drop (telecommunication) ; Ultimate tensile strength ; Drop test ; Deformation (meteorology) ; Growth rate ; Test method ; Fracture mechanics ; Structural engineering ; Alloy ; Metallurgy ; Computer science Hydrogen embrittlement and corrosion behaviors in metals ; High Temperature Alloys and Creep ; Nuclear Materials and Properties
Authors: Landon T. Hansen
Source: ScholarsArchive  (Brigham Young University) (article, 2019-01-01)
Field: Materials Science — Materials Chemistry

Characterization of Dislocation - Grain Boundary Interactions Through Electron Backscatter Diffraction Further understanding of dislocation-GB interactions is critical to increasing the performance of polycrystalline metals. The research contained within this dissertation aims to further dislocation-GB interaction understanding through three research studies. First, the effect of noise in EBSPs on GND calculations was evaluated in order to improve dislocation characterization via HR-EBSD. Second, the evolution of GNDs and their effects on back stress was studied through experimental and computational methods applied to tantalum oligo specimens. Third, statistical analysis was used to evaluate grain parameters and current GB transmission parameters on their correlation with dislocation accumulation. Electron backscatter diffraction ; Dislocation ; Backscatter (email) ; Characterization (materials science) ; Materials science ; Grain boundary ; Electron diffraction ; Diffraction ; Condensed matter physics ; Optics ; Physics ; Nanotechnology ; Metallurgy ; Computer science ; Microstructure ; Telecommunications Microstructure and mechanical properties ; Microstructure and Mechanical Properties of Steels ; Non-Destructive Testing Techniques
Authors: Zeynab Raftani Amiri | Mohammad Hossein Naeli | phd student | Zine El Abidin Babaei
Source: Nutrition and Food Sciences Research (article, 2019-11-01)
Field: Chemistry — Organic Chemistry

Designation of a Palm-Free Frying Oil Formulation Based on Sunflower, Canola, Corn and Sesame Oils Using D-Optimal Mixture Design Background and Objectives: Oils used in frying should include special characteristics such as high oxidative stability, prolonged shelf life, low price, abundance and availability and desirable flavors. Nowadays, consumers are further interested in low saturated frying oils. Recently, manufacturers focus on eliminating palm oil derivatives (as a major vegetable source of saturation) from frying oil formulations. Therefore, achievement of balances between nutritional, technological and economic aspects is a big challenge for the oil industries. Canola ; Palm oil ; Sunflower ; Sunflower oil ; Mathematics ; Palm ; Agronomy ; Food science ; Chemistry ; Biology Edible Oils Quality and Analysis ; Biodiesel Production and Applications ; Food Chemistry and Fat Analysis
Authors: Barbara Steigenberger | Roland J. Pieters | Albert J. R. Heck | Richard A. Scheltema
Source: bioRxiv (Cold Spring Harbor Laboratory) (preprint, 2019-02-21)
Field: Chemistry — Spectroscopy

PhoX – an IMAC-enrichable Crosslinking Reagent Abstract Chemical crosslinking mass spectrometry is rapidly emerging as a prominent technique to study protein structures. Structural information is obtained by covalently connecting peptides in close proximity by small reagents and identifying the resulting peptide pairs by mass spectrometry. However, sub-stoichiometric reaction efficiencies render routine detection of crosslinked peptides problematic. Here we present a new tri-functional crosslinking reagent, termed PhoX, which is decorated with a stable phosphonic acid handle. This makes the crosslinked peptides amenable to the well-established IMAC enrichment. The handle allows for 300x enrichment efficiency and 97% specificity, dramatically reducing measurement time and improving data quality. We exemplify the approach on various model proteins and protein complexes, e.g. resulting in a structural model of the LRP1/RAP complex. PhoX is also applicable to whole cell lysates. When focusing the database search on ribosomal proteins, our first attempt resulted in 355 crosslinks, out-performing current efforts in less measurement time. Reagent ; Mass spectrometry ; Chemistry ; Combinatorial chemistry ; Peptide ; Covalent bond ; Stoichiometry ; Chromatography ; Biochemistry ; Organic chemistry Mass Spectrometry Techniques and Applications ; Advanced Proteomics Techniques and Applications ; RNA and protein synthesis mechanisms
Authors: Heng Xiao | Gautam Srivastava
Source: International Journal of Performability Engineering (article, 2019-01-01)
Field: Chemistry — Inorganic Chemistry

Dynamic Monitoring Method of Coconut Red Ring Disease based on Apriori Algorithm In order to improve the dynamic monitoring and feature recognition ability of coconut red ring disease, the image visual feature recognition method is used to detect the disease, and the method of coconut red ring disease feature recognition based on the Apriori algorithm is proposed. A two-dimensional dynamic hyperspectral image acquisition model of coconut red ring disease is constructed. The dynamic hyperspectral images of the disease are detected by block fusion, while the features are detected according to its texture distribution. The visual fractal features are extracted, the surface texture registration and block regional feature matching method are used to calibrate the feature points, and the feature decomposition of dynamic hyperspectral images are carried out by multi-scale wavelet decomposition. The simulation results show that the accuracy of the method for the identification and dynamic monitoring of coconut red ring disease is high, and the false detection rate is low, which improves the ability of prevention and recognition of coconut red ring disease. Apriori algorithm ; A priori and a posteriori ; Algorithm ; Data mining ; Computer science ; Association rule learning Coconut Research and Applications
Authors: Tobias G. Bergmann | Michael O. Welzel | Christoph R. Jacob
Source: ChemRxiv (preprint, 2019-10-15)
Field: Chemistry — Organic Chemistry

Towards Theoretical Spectroscopy with Error Bars: Systematic Quantification of the Structural Sensitivity of Calculated Spectra Molecular spectra calculated with quantum-chemical methods are subject to a number of uncertainties (e.g., errors introduced by the computational methodology) that hamper the direct comparison of experiment and computation. Judging these uncertainties is crucial for drawing reliable conclusions from the interplay of experimental and theoretical spectroscopy, but largely relies on subjective judgment. Here, we explore the application of methods from uncertainty quantification to theoretical spectroscopy, with the ultimate goal of providing systematic error bars for calculated spectra. As a first target, we consider distortions of the underlying molecular structure as one important source of uncertainty. We show that by performing a principal component analysis, the most influential collective distortions can be identified, which allows for the construction of surrogate models that are amenable to a statistical analysis of the propagation of uncertainties in the molecular structure to uncertainties in the calculated spectrum. This is applied to the calculation of X-ray emission spectra of iron carbonyl complexes, of the electronic excitation spectrum of a coumarin dye, and of the infrared spectrum of alanine. We show that with our approach it becomes possible to obtain error bars for calculated spectra that account for uncertainties in the molecular structure. This is an important first step towards systematically quantifying other relevant sources of uncertainty in theoretical spectroscopy. Spectral line ; Spectroscopy ; Sensitivity (control systems) ; Principal component analysis ; Computation ; Statistical physics ; Computational physics ; Systematic error ; Molecular spectroscopy ; Chemistry ; Computer science ; Biological system ; Algorithm ; Mathematics ; Physics ; Statistics ; Quantum mechanics ; Artificial intelligence ; Engineering ; Electronic engineering Free Radicals and Antioxidants ; Molecular spectroscopy and chirality ; Electron Spin Resonance Studies
Authors: Oscar Leonardo García-Navarrete | Sergio Cubero García | J.M. Prats-Montalbán
Source: DYNA (article, 2019-07-01)
Field: Chemistry — Analytical Chemistry

Identification of mechanical damage in the 'Fuji' apple cv. using artificial hyperspectral vision One problem in the post-harvest phase of apples is the mechanical impact damage; its identification prevents quality issues during storage. The objective was to identify the wavelengths at which the damage is detected early in apples of the 'Fuji' cultivar, simulating the damage with a controlled stroke and taking hyperspectral images from 400 to 1700 nm. Three experiments were carried out at different temperatures (4 and 20 ° C) and with varying sampling times. It was found that in the NIR zone ranging between 1050 and 1100 nm, it was possible to classify healthy and bruised zones by means of a discriminant analysis by partial least squares (PLS-DA). Additionally, the evolution of the damage over time was not significant for the classification of the pixels (healthy and bruised classes), since bumps were detected in all three experiments from the first time. Hyperspectral imaging ; Partial least squares regression ; Pixel ; Identification (biology) ; Artificial intelligence ; Linear discriminant analysis ; Sampling (signal processing) ; Horticulture ; Pattern recognition (psychology) ; Materials science ; Remote sensing ; Computer science ; Mathematics ; Computer vision ; Geology ; Botany ; Biology ; Statistics Spectroscopy and Chemometric Analyses ; Meat and Animal Product Quality ; Advanced Chemical Sensor Technologies
Authors: Taís Cristina Filippe | Luana Mayumi Takahasi Marques | Heloíse Garcia Knapik | Júlio César Rodrigues de Azevedo | Jorge Pereira
Source: Journal of Water Resource and Protection (article, 2019-01-01)
Field: Chemistry — Analytical Chemistry

Evaluation of Dissolved Organic Carbon Using Synchronized Fluorescence Emission Spectra and Unsupervised Method of Principal Component Analysis (PCA) and Independent Component Analysis (ICA) Dissolved organic matter (DOM) can be originated from autochthonous or allochthonous sources, where allochthonous DOM can be from pedogenic sources (humic substances—HSs) or anthropogenicsources (wastewater). The analysis of fluorescence emission, excitation, synchronous or excitation-emission matrix (EEM) have been used to identify the main source or probable contribution of dissolved compounds, such as humic acids (HA), fulvic acids (FA) and dissolved organic carbon (DOC) from sewage, but does not quantify. Fluorescence emission is a powerful technique to detect and qualify organic dissolved compounds but fails in quantitative aspects. In this work, we propose an in situ method for direct determination of DOC using synchronous fluorescence spectra with independent component analysis (ICA). Well known standard solutions were used for method development and validation. In this work, we show that it is possible to predict the number of independent contributions using an unsupervised method based on iterative Principal Component Analysis and Independent Component Analysis (PCA-ICA) approach over combined matrix results. Within these results it’s also possible to see that with a very small amount of independent components it is possible to describe environmental samples of HA, FA and primary productivity (PP). Principal component analysis ; Independent component analysis ; Component (thermodynamics) ; Fluorescence ; Dissolved organic carbon ; Chemistry ; Pattern recognition (psychology) ; Analytical Chemistry (journal) ; Chromatography ; Biological system ; Artificial intelligence ; Environmental chemistry ; Computer science ; Physics ; Biology ; Thermodynamics Spectroscopy and Chemometric Analyses ; Water Quality Monitoring and Analysis ; Advanced Chemical Sensor Technologies
Authors: Adam Pearson | Anurag Mishra | Itay Hen | Daniel A. Lidar
Source: npj Quantum Information (preprint, 2019-11-28)
Field: Materials Science — Materials Chemistry

Analog errors in quantum annealing: doom and hope Abstract Quantum annealing has the potential to provide a speedup over classical algorithms in solving optimization problems. Just as for any other quantum device, suppressing Hamiltonian control errors will be necessary before quantum annealers can achieve speedups. Such analog control errors are known to lead to $$J$$ <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"> <mml:mi>J</mml:mi> </mml:math> -chaos, wherein the probability of obtaining the optimal solution, encoded as the ground state of the intended Hamiltonian, varies widely depending on the control error. Here, we show that $$J$$ <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"> <mml:mi>J</mml:mi> </mml:math> -chaos causes a catastrophic failure of quantum annealing, in that the scaling of the time-to-solution metric becomes worse than that of a deterministic (exhaustive) classical solver. We demonstrate this empirically using random Ising spin glass problems run on the two latest generations of the D-Wave quantum annealers. We then proceed to show that this doomsday scenario can be mitigated using a simple error suppression and correction scheme known as quantum annealing correction (QAC). By using QAC, the time-to-solution scaling of the same D-Wave devices is improved to below that of the classical upper bound, thus restoring hope in the speedup prospects of quantum annealing. Quantum annealing ; Speedup ; Quantum ; Hamiltonian (control theory) ; Scaling ; Computer science ; Quantum computer ; Solver ; Simulated annealing ; Statistical physics ; Algorithm ; Quantum mechanics ; Physics ; Mathematics ; Mathematical optimization ; Parallel computing Chemical and Physical Properties of Materials ; Quantum Computing Algorithms and Architecture ; Ion-surface interactions and analysis