jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Alessandro Nardecchia | Raffaele Vitale | Eric Ziémons | Ludovic Duponchel
Source: Analytica Chimica Acta (article, 2023-01-05)
Field: Chemistry — Analytical Chemistry

Improvement of pixel classification by the simultaneous use of spectral and spatial information in the framework of spectroscopic imaging Hyperspectral imaging ; Preprocessor ; Full spectral imaging ; Chemometrics ; Pattern recognition (psychology) ; Artificial intelligence ; Context (archaeology) ; Spatial analysis ; Pixel ; Data processing ; Computer science ; Imaging spectrometer ; Data quality ; Spectral imaging ; Data pre-processing ; Chemical imaging ; Remote sensing ; Machine learning ; Spectrometer ; Optics Spectroscopy and Chemometric Analyses ; Spectroscopy Techniques in Biomedical and Chemical Research ; Remote-Sensing Image Classification
Authors: Angelo Giorgio Cavaliere | Federico Ricci‐Tersenghi
Source: arXiv (Cornell University) (preprint, 2023-03-27)
Field: Materials Science — Materials Chemistry

Biased thermodynamics can explain the behaviour of smart optimization algorithms that work above the dynamical threshold Random constraint satisfaction problems can display a very rich structure in the space of solutions, with often an ergodicity breaking -- also known as clustering or dynamical -- transition preceding the satisfiability threshold when the constraint-to-variables ratio $α$ is increased. However, smart algorithms start to fail finding solutions in polynomial time at some threshold $α_{\rm alg}$ which is algorithmic dependent and generally bigger than the dynamical one $α_d$. The reason for this discrepancy is due to the fact that $α_d$ is traditionally computed according to the uniform measure over all the solutions. Thus, while bounding the region where a uniform sampling of the solutions is easy, it cannot predict the performance of off-equilibrium processes, that are still able of finding atypical solutions even beyond $α_d$. Here we show that a reconciliation between algorithmic behaviour and thermodynamic prediction is nonetheless possible at least up to some threshold $α_d^{\rm opt}\geqα_d$, which is defined as the maximum value of the dynamical threshold computed on all possible probability measures over the solutions. We consider a simple Monte Carlo-based optimization algorithm, which is restricted to the solution space, and we demonstrate that sampling the equilibrium distribution of a biased measure improving on $α_d$ is still possible even beyond the ergodicity breaking point for the uniform measure, where other algorithms hopelessly enter the out-of-equilibrium regime. The conjecture we put forward is that many smart algorithms sample the solution space according to a biased measure: once this measure is identified, the algorithmic threshold is given by the corresponding ergodicity-breaking transition. Ergodicity ; Measure (data warehouse) ; Constraint satisfaction problem ; Dynamical systems theory ; Mathematics ; Space (punctuation) ; Dynamical system (definition) ; Monte Carlo method ; Statistical physics ; Mathematical optimization ; Algorithm ; Computer science ; Physics ; Quantum mechanics Machine Learning in Materials Science ; Catalysis and Oxidation Reactions ; Stochastic Gradient Optimization Techniques
Authors: Jiamin Huang | Pengwei Wang | Yu Wu | Zeng Li | Xiaoliang Ji | Xu Zhang | Mingjiang Wu | Haibin Tong | Yue Yang
Source: Heliyon (article, 2023-06-01)
Field: Chemistry — Analytical Chemistry

Rapid determination of triglyceride and glucose levels in Drosophila melanogaster induced by high-sugar or high-fat diets based on near-infrared spectroscopy Triglyceride and glucose levels are important indicators for determining metabolic syndrome, one of the leading public-health burdens worldwide. <i>Drosophila melanogaster</i> is an ideal model for investigating metabolic diseases because it has 70% homology to human genes and its regulatory mechanism of energy metabolism homeostasis is highly similar to that of mammals. However, traditional analytical methods of triglyceride and glucose are time-consuming, laborious, and costly. In this study, a simple, practical, and reliable near-infrared (NIR) spectroscopic analysis method was developed for the rapid determination of glucose and triglyceride levels in an in vivo model of metabolic disorders using <i>Drosophila</i> induced by high-sugar or high-fat diets<i>.</i> The partial least squares (PLS) model was constructed and optimized using different spectral regions and spectral pretreatment methods. The overall results had satisfactory prediction performance. For <i>Drosophila</i> induced by high-sugar diets, the correlation coefficient (<i>R</i><sub><i>P</i></sub><i>)</i> and root mean square error of prediction (<i>RMSEP</i>) were 0.919 and 0.228 mmoL gprot<sup>-1</sup> for triglyceride and 0.913 and 0.143 mmoL gprot<sup>-1</sup> for glucose respectively; for <i>Drosophila</i> induced by high-fat diets, the <i>R</i><sub><i>P</i></sub> and <i>RMSEP</i> were 0.871 and 0.097 mmoL gprot<sup>-1</sup> for triglyceride and 0.853 and 0.154 mmoL gprot<sup>-1</sup> for glucose, respectively. This study demonstrated the potential of using NIR spectroscopy combined with PLS in the determination of triglyceride and glucose levels in <i>Drosophila</i>, providing a rapid and effective method for monitoring metabolite levels during disease development and a possibility for evaluating metabolic diseases in humans in clinical practice. Triglyceride ; Sugar ; Drosophila melanogaster ; Carbohydrate metabolism ; Biochemistry ; Chemistry ; Biology ; Food science ; Cholesterol ; Gene Spectroscopy and Chemometric Analyses ; Metabolomics and Mass Spectrometry Studies ; Spectroscopy Techniques in Biomedical and Chemical Research
Authors: Marcin Idzik | Tomasz Rybicki
Source: IEEE Access (article, 2023-01-01)
Field: Materials Science — Polymers and Plastics

Real-Time Yarn Breakage Detection in the Warping Machine In the warping process, one of the most crucial elements determining production efficiency are break detectors. Due to the high warping speeds, they must ensure not only reliability but also very low response times. Currently, the most commonly used detectors are mechanical systems that detect the lack of yarn tension, and with the development of electronic systems, it has also become possible to measure the tension directly in the tensioners themselves. To significantly reduce the costs of such systems, a method has been proposed that will allow for the analysis of the recorded image and, on this basis, to determine not only the fact of breaking but also to indicate the exact location of the broken ends of the yarn, which will provide the operator or robotic systems in the future with a completely new, unobtainable earlier information. In this interdisciplinary project, the goal was to achieve the highest possible speed of real-time analysis. To achieve this, the techniques of filtration, adaptive thresholding, morphological transformations were used, and the thinning process, which had been used for years, was improved. During the experimental work, the possibility of detecting breaks for different types of yarns, both with different linear densities and colors, was examined. The results showed that this method worked well, but more importantly, it also tested and identified its limitations. The final results also showed that this method allows not only the installation of such solutions on new machines but also the modernization of old ones. Computer science ; Image warping ; Yarn ; Thresholding ; Process (computing) ; Reliability (semiconductor) ; Detector ; Artificial intelligence ; Dynamic time warping ; Measure (data warehouse) ; Tension (geology) ; Breakage ; Computer vision ; Image (mathematics) ; Mechanical engineering ; Data mining ; Engineering ; Compression (physics) Textile materials and evaluations ; Industrial Vision Systems and Defect Detection ; Color Science and Applications
Authors: Longjie Li | He Li | Huakui Hu | Xiao Shang | Huiwen Xue | Jinyu Hu | Cheng Lü | Shengjie Zhao | Jiebin Niu | Lina Shi
Source: Photonics (article, 2023-04-03)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Full-Color and Anti-Counterfeit Printings with All-Dielectric Chiral Metasurfaces Structural color is anticipated to replace pigmented or chemical color due to its superior saturation, resolution, environmental friendliness, and longevity. We achieve a full-color gamut of structural colors and anti-counterfeit functions by an all-dielectric chiral metasurface consisting of half-gammadion-shaped resonators embedded in PMMA and a top TiO2 layer on quartz coated with an ITO layer. The prominent resonance peaks of this embedded chiral metasurface under the cross-polarization condition, which are provided by the polarization conversion features of the chiral structure, lead to extremely saturated structural colors. The color phase mainly depends on the structure’s period, opening up a full-color range well beyond sRGB. Especially, we demonstrate a star with hidden information of the letter “A” and the Chinese word “李龙杰” by taking advantage of the difference in the color phase change under different polarization conditions to decode the information, thus realizing the anti-counterfeiting function. Our proposed embedded chiral metasurface provides dual-function structural colors and is highly promising for micro-display, nanoprinting, anti-counterfeiting, data storage, and information encryption. Gamut ; Structural coloration ; Materials science ; Polarization (electrochemistry) ; Optoelectronics ; Dielectric ; Chipless RFID ; Full color ; Optics ; Resonator ; Physics ; Chemistry ; Photonic crystal Metamaterials and Metasurfaces Applications ; Polydiacetylene-based materials and applications ; Advanced Antenna and Metasurface Technologies
Authors: José Antonio Cayuela
Source: Journal of Food Composition and Analysis (article, 2023-11-07)
Field: Chemistry — Analytical Chemistry

Rapid measurement of sardine freshness by using visible and near infrared spectroscopy Sardine ; Principal component analysis ; Gradation ; Near-infrared spectroscopy ; Chemistry ; Food science ; Analytical Chemistry (journal) ; Mathematics ; Computer science ; Statistics ; Chromatography ; Artificial intelligence ; Fishery ; Biology ; Fish <Actinopterygii> Spectroscopy and Chemometric Analyses ; Identification and Quantification in Food ; Meat and Animal Product Quality
Authors: Yavuz Ünal | Husamettin Kaplan | Yusuf Bektas | Muhammed Bedirhan Caglar
Source: New Trends in Computer Sciences (article, 2023-05-31)
Field: Chemistry — Analytical Chemistry

CLASSIFICATION OF RAISIN GRAINS VARIETY USING SOME MACHINE LEARNING METHODS One of the agricultural crops with considerable nutritional and financial worth is raisins. Every year, the world produces and consumes millions of tons of raisins. In this work, machine learning was used to categorize two different raisin kinds that are grown in our nation. Machine learning techniques Decision Trees and Random Forest were used to classify the 2-class data set with 7 different attributes that were acquired as a ready-made data set. With 020 Random Forest and Decision Trees, classification accuracy was 85.44% and 85.22%, respectively, in the analyses that were conducted. Random forest ; Categorization ; Machine learning ; Decision tree ; Artificial intelligence ; Class (philosophy) ; Variety (cybernetics) ; Computer science ; Agriculture ; Geography ; Archaeology Spectroscopy and Chemometric Analyses ; Smart Agriculture and AI
Authors: Mengxiang Wang | Haibo Wang | Qi Zong | Feng Xiong | Kang Qian | Chun Zhu | Yuanyuan Pan
Source: Applied Sciences (article, 2023-10-23)
Field: Materials Science — Materials Chemistry

Theoretical Study of Large Uncoupling Coefficient Loading for Surface Blasting Smooth surface blasting control technology is aimed at blasting the rock body until it is left with a smooth surface and to protect it from damage; the current air spaced axial uncoupled charge and air spaced radial uncoupled continuous charge are effective charging structures for smooth surface blasting. Reserved air spacing can effectively reduce the blast wave and the peak pressure of the explosive gas, improving the quasi-static pressure of the explosive gas under the action of rock surface blasting with fracture seam quality. In order to ensure the effect of surface blasting, small-diameter light surface holes are more often used; with the development of drilling machinery, the use of large-diameter light blast holes with an oversized uncoupled coefficient of loading structure effectively improves the efficiency of the construction and at the same time achieves better blasting results. However, according to the bursting assumption of obtaining the theory of light surface blasting in the application of large uncoupling coefficient loading, light surface blasting has certain limitations. In this regard, the bursting theory explores the air spacing uncoupling charge in line with the multi-faceted exponential expansion of the critical uncoupling coefficient and is in accordance with the following: the requirements of light surface blasting and the field loading structure; the derivation of the quasi-static pressure on the wall of the gunhole under the action of large uncoupling, uncoupling coefficient, and the parameters of the spacing between the gunholes; the establishment of the axial uncoupling coefficient and the radial uncoupling coefficient-equivalent relationship between the uncoupling coefficient and the theoretical relationship between the selection of the spacing between the holes; the uncoupling coefficient and the selection of the theoretical relationship between the spacing between the holes. This study reveals the mechanism by which different parameters of surface blasting can achieve good results in engineering practices. A slope in Guizhou is an example of sample calculations and the application of two different charging structures applied to field loading, which have achieved good surface blasting results. Explosive material ; Rock blasting ; Mechanics ; Materials science ; Surface (topology) ; Structural engineering ; Geotechnical engineering ; Engineering ; Chemistry ; Physics ; Geometry ; Mathematics High-Velocity Impact and Material Behavior ; Structural Response to Dynamic Loads ; Rock Mechanics and Modeling
Authors: P. А. Khazov
Source: Problems of Strength and Plasticity (article, 2023-01-01)
Field: Materials Science — Materials Chemistry

TRIAXIAL STRESS STATE OF CONCRETE UNDER LONGITUDINAL DEFORMATION OF TUBE-CONCRETE SAMPLES The effects that occur during the transition of concrete to a complex stress state, resulting from the limitation of transverse deformations due to the steel shell, are considered using experimental modeling. The studies were carried out on CFST samples of three standard sizes, as well as on differentiated samples of pure concrete and steel tube. Diagrams of work of samples under longitudinal compression and their comparison are given. The use of CFST structures turns out to be very effective not only as a result of saturation of the supporting structure with material, but due to the mutual influence of the components of the structure on each other. A quantitative assessment and a qualitative justification for increasing the efficiency of the concrete core as part of a CFST element are given. It is shown that the increase in the bearing capacity of the sample due to the reinforcement of a simple tube with concrete is several times higher than the differentiated bearing capacity of the concrete core. This fact makes it possible to consider CFST structures as composite ones with a non-linear increase in strength due to the joint work of the system components. The transition of specimens to the plastic state of tube-concrete specimens occurs at the same values of longitudinal deformation as for hollow steel tubes, but at high load values. The effects that occur in concrete under the influence of a steel shell create a triaxial stress state, which makes it possible to multiply the bearing capacity of any brittle material. It is shown that concrete under conditions of such a stressed state behaves rather like an amorphous material, does not collapse at all stages of deformation, and there are practically no processes of crack initiation and its propagation in concrete. Materials science ; Brittleness ; Deformation (meteorology) ; Bearing capacity ; Structural engineering ; Composite material ; Stress–strain curve ; Shell (structure) ; Engineering Structural mechanics and materials ; Advanced Energy Technologies and Civil Engineering Innovations ; Material Properties and Failure Mechanisms
Authors: Zeric Tabekoueng Njitacke | Jan Awrejcewicz | Nestor Tsafack | Grzegorz Kudra | Jacques Kengne
Source: Physica Scripta (article, 2023-07-10)
Field: Materials Science — Materials Chemistry

Complex dynamics, released energy, and multistability in a single-layered graphene sheet under periodic loads Abstract Graphene was found in 2004. It’s a carbon allotrope built around a single layer of atoms organized in a two-dimensional (2D) honeycomb lattice nanostructure. In the contribution, the complex behavior of a graphene sheet under periodic loads is investigated using the usual nonlinear analysis tools. From the dynamic states and the material’s symmetry investigations, it is found that the graphene model considered in this work can exhibit the simultaneous existence of up to six different patterns by varying initial conditions for fixed parameters. The Helmholtz theorem is also used to calculate the Hamilton energy of excited graphene. As a result, when the damping coefficient <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" overflow="scroll"> <mml:mi>ε</mml:mi> </mml:math> and the nonlocal parameter <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" overflow="scroll"> <mml:mi>μ</mml:mi> </mml:math> were close to zero, the system’s energy was null. This supports the fact that when graphene is in its resting state, vibrations are null inside the material. In contrast, when the damping coefficient <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" overflow="scroll"> <mml:mi>ε</mml:mi> </mml:math> and the nonlocal parameter <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" overflow="scroll"> <mml:mi>μ</mml:mi> </mml:math> were simultaneously increased, the energy of the graphene sheet increased until it reached a peak value, justifying the oscillations observed in the material. The dependency of the material on the initial condition is also used to support the coexistence of the energy found. Graphene ; Algorithm ; Energy (signal processing) ; Materials science ; Physics ; Computer science ; Nanotechnology ; Quantum mechanics Graphene research and applications ; Nonlocal and gradient elasticity in micro/nano structures ; Carbon Nanotubes in Composites
Authors: Jing Zou | Ziran Qin | Ran Li | Xiaohua Yan | Huizhe Huang | Bing Yang | Fangfang Zhou | Long Zhang
Source: Molecular & Cellular Proteomics (article, 2023-12-12)
Field: Chemistry — Spectroscopy

iProPhos: A Web-Based Interactive Platform for Integrated Proteome and Phosphoproteome Analysis Large-scale omics studies have generated a wealth of mass spectrometry-based proteomics data, which provide additional insights into disease biology spanning genomic boundaries. However, there is a notable lack of web-based analysis and visualization tools that facilitate the reutilization of these data. Given this challenge, we present iProPhos, a user-friendly web server to deliver interactive and customizable functionalities. iProPhos incorporates a large number of samples, including 1444 tumor samples and 746 normal samples across 12 cancer types, sourced from the Clinical Proteomic Tumor Analysis Consortium. Additionally, users can also upload their own proteomics/phosphoproteomics data for analysis and visualization. In iProPhos, users can perform profiling plotting and differential expression, patient survival, clinical feature-related, and correlation analyses, including protein-protein, mRNA-protein, and kinase-substrate correlations. Furthermore, functional enrichment, protein-protein interaction network, and kinase-substrate enrichment analyses are accessible. iProPhos displays the analytical results in interactive figures and tables with various selectable parameters. It is freely accessible at http://longlab-zju.cn/iProPhos without login requirement. We present two case studies to demonstrate that iProPhos can identify potential drug targets and upstream kinases contributing to site-specific phosphorylation. Ultimately, iProPhos allows end-users to leverage the value of big data in cancer proteomics more effectively and accelerates the discovery of novel therapeutic targets. Proteomics ; Computer science ; Phosphoproteomics ; Proteome ; Upload ; Computational biology ; Profiling (computer programming) ; Bioinformatics ; Biology ; World Wide Web ; Protein kinase A ; Protein phosphorylation ; Kinase Advanced Proteomics Techniques and Applications ; Bioinformatics and Genomic Networks ; Microbial Metabolic Engineering and Bioproduction
Authors: Marwa Yassin
Source: International Journal of Advances in Scientific Research and Engineering (article, 2023-01-01)
Field: Materials Science — Polymers and Plastics

The The Impact of Weave Structure on the Efficiency Characteristics of Chenille Yarn-Produced Upholstery Woven Fabric n this study, we have investigated the effect of weaving structure on the Efficiency properties of upholstery woven fabrics. Different four weaving structures have been produced in four samples. To Enhance Efficiency properties through the effect of weavestructure in terms of (friction, pilling, thickness, weight, and tensile properties), chenille yarns were used as weft yarn. All the samples were tested for fabric friction, pilling, thickness, weight, and tensile properties. The results indicate that weaving structure has a significant effect on the Efficiency properties of upholstery fabrics. Weaving ; Yarn ; Composite material ; Materials science ; Ultimate tensile strength ; Fabric structure Textile materials and evaluations ; Dyeing and Modifying Textile Fibers
Authors: Atsushi Ito | Arimichi Takayama | Hiroaki Nakamura
Source: Materials Research Express (article, 2023-11-21)
Field: Materials Science — Materials Chemistry

Tungsten nanostructure growth by sputtering and redeposition in BCA-MD-KMC hybrid simulation Abstract The formation mechanism of fibrous tungsten nanostructures, fuzz, induced by helium plasma irradiation on tungsten materials has been investigated. We have developed a BCA-MD-KMC hybrid simulation, which solves the injection process of helium atoms by the Binary Collision Approximation (BCA) method, the diffusion process of helium atoms in tungsten materials by the Kinetic Monte-Carlo (KMC) method, and the deformation of tungsten materials due to helium bubbles by the Molecular Dynamics (MD) method. In addition, the model used to calculate the recoiling of tungsten atoms in BCA was improved to account for the reduced binding energy of tungsten atoms on rough surfaces. Using the hybrid simulation, the height of the nanostructures reached about 50 nm. The main mechanism of nanostructure growth was that sputtering and redeposition caused transport of tungsten atoms perpendicular to the surface. The present simulation was able to represent not only the dependence that the nanostructure height increases in proportion to the square root of the helium fluence, but also the existence of incubation fluence before the growth starts. Tungsten ; Nanostructure ; Materials science ; Sputtering ; Fluence ; Kinetic Monte Carlo ; Helium ; Molecular dynamics ; Diffusion ; Argon ; Atomic physics ; Chemical physics ; Surface diffusion ; Nanotechnology ; Molecular physics ; Irradiation ; Chemistry ; Monte Carlo method ; Thin film ; Metallurgy ; Thermodynamics ; Computational chemistry ; Physical chemistry ; Physics ; Nuclear physics Fusion materials and technologies ; Metal and Thin Film Mechanics ; Ion-surface interactions and analysis