jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Wang Si-hua | Junjun Wang | Lijun Zhou | Long Chen | Lei Zhao
Source: Energy Engineering (article, 2021-11-22)
Field: Materials Science — Materials Chemistry

Research on Flashover Voltage Prediction of Catenary Insulator Based on CaSO4 Pollution with Different Mass Fraction Pollution flashover accidents occur frequently in railway OCS in saline-alkali areas. To accurately predict the pollution flashover voltage of insulators, a pollution flashover warning should be made in advance. According to the operating environment of insulators along the Qinghai-Tibet railway, the pollution flashover experiments were designed for the cantilever composite insulator FQBG-25/12. Through the experiments, the flashover voltage under the influence of soluble contaminant density (SCD) of different pollution components, non-soluble deposit density (NSDD), temperature (T), and atmospheric pressure (P) was obtained. On this basis, the GA-BP neural network prediction model was established. P, SCD, NSDD, CaSO4 mass fraction (w(CaSO4)), and T were taken as input parameters, 50% flashover voltage (U50%) of the insulator was taken as output parameters. The results showed that the prediction deviation was less than 10%, which meets the basic engineering requirements. The results could not only provide early warning for the anti-pollution flashover work of the railway power supply department, but also be used as an auxiliary contrast to verify the accuracy of the results of the experiments, and provide a theoretical basis for the classification of pollution levels in different regions. Pollution ; Insulator (electricity) ; Arc flash ; Voltage ; Environmental science ; Mass fraction ; Mass concentration (chemistry) ; Catenary ; Atmospheric pressure ; Atmospheric pollution ; Environmental engineering ; Materials science ; Engineering ; Structural engineering ; Composite material ; Electrical engineering ; Meteorology ; Chemistry High voltage insulation and dielectric phenomena ; Impact of Light on Environment and Health
Authors: Arkadiusz Dobrzycki | W. Opydo | S. Zakrzewski
Source: Electrical Engineering (article, 2021-11-16)
Field: Materials Science — Materials Chemistry

Influence of additional dielectric coatings on the electrode surfaces on selected parameters of acoustic emission signals in high-voltage gas insulation systems Abstract The paper is devoted to the study of impact of additional dielectric coatings placed on the surface of the electrodes on the operation of a high-voltage insulation system with air as insulating medium. The study mainly focused on measurement of partial discharges (PDs) with the use of acoustic emission method. Tests were conducted in various levels of chamber pressure. Applicable parameters of recorded signals were analyzed with the use of applications developed in the environment of MATLAB software. The results of analyses clearly show that presence of additional coatings has impact on signal parameters and thus indirectly on PDs. The use of coatings reduces the duration of a single pulse (event) and increases its amplitude. Furthermore, the influence of degradation of the coating caused by individual discharges on the values of the analyzed parameters was analyzed. The study has shown, however, that this effect is negligible. Materials science ; Electrode ; Dielectric ; Coating ; Acoustic emission ; Voltage ; SIGNAL (programming language) ; Degradation (telecommunications) ; Acoustics ; Partial discharge ; High voltage ; Composite material ; Optoelectronics ; Electronic engineering ; Electrical engineering ; Engineering ; Computer science High voltage insulation and dielectric phenomena ; Power Transformer Diagnostics and Insulation ; Aerosol Filtration and Electrostatic Precipitation
Authors: Qinqin Wang | Yuanzhong Wang | Yunmei Wang
Source: Research Square (preprint, 2021-04-12)
Field: Chemistry — Analytical Chemistry

Comparison of Geographical Traceability of Wild and Cultivated Macrohyporia Cocos With Different Data Fusion Approaches Abstract Background Poria originated from the dried sclerotium of Macrohyporia cocos is an edible traditional Chinese medicine with high economic value. Due to the significant difference in quality between wild and cultivated M. cocos , the study aimed to trace the origin of the fungus from the perspectives of wild and cultivation. In addition, there were quite limited studies about data fusion, a potential strategy, employed and discussed in the geographical traceability of M. cocos . Therefore, we traced the origin of M. cocos from the perspectives of wild and cultivation using multiple data fusion approaches. Methods Supervised pattern recognition techniques like partial least squares discriminant analysis (PLS-DA) and random forest, were employed in this study using. Five types of data fusion involving low-, mid- and high-level data fusion strategies were performed. Two feature extraction approaches including the selecting variables by a random forest-based method—Boruta algorithm and producing principal components by the dimension reduction technique of principal component analysis were considered in data fusion. Results (1) the difference of wild and cultivated samples did exist in terms of the content analysis of vital chemical component and fingerprint analysis. (2) the cultivated samples from different origins could be easily identified by Fourier transform infrared spectroscopy or liquid chromatography, while the wild required data fusion. (3) Boruta outperformed principal component analysis (PCA) in feature extraction. (4) Mid-level-Boruta preceded Mid-level-PCA, low-level and high-level data fusion and individual techniques. The Mid-level-Boruta PLS-DA model took full advantage of information synergy and showed the best performance. Conclusions This study proved that both geographical traceability and optimal identification methods of cultivated and wild samples were different, and data fusion was a potential technique in the geographical identification. Principal component analysis ; Traceability ; Pattern recognition (psychology) ; Partial least squares regression ; Linear discriminant analysis ; Artificial intelligence ; Mathematics ; Dimension (graph theory) ; Fusion ; Geography ; Data mining ; Computer science ; Statistics Spectroscopy and Chemometric Analyses ; Advanced Chemical Sensor Technologies ; Identification and Quantification in Food
Authors: Dean Marković | Ernest Meštrović | Vesna Tomašić | Vladislav Tomišić | Senka Djaković | Danijel Namjesnik
Source: Croatica Chemica Acta (article, 2021-01-01)
Field: Chemistry — Physical and Theoretical Chemistry

27. hrvatski skup kemičara i kemijskih inženjera Croatian ; Chemistry ; Physics ; Philosophy ; Linguistics History and advancements in chemistry
Authors: Doan Thanh XUAN | Vu Dang HOANG
Source: DergiPark (Istanbul University) (article, 2021-02-01)
Field: Chemistry — Analytical Chemistry

Simultaneous Determination of Spiramycin and Metronidazole in Coated Tablets by Derivative and Wavelet Transforms of UV Spectra and Ratio Spectra Signal transformation (derivative and wavelet) was applied toUV spectra and ratio spectra to directly quantify spiramycin andmetronidazole in binary mixtures. Linear calibration graphs wereexamined for either drug in the concentration range of 6.25 – 25mg/L with R2 &amp;gt; 0.990. First derivative-transformed (i.e., usingSavitzky-Golay filter) and wavelet-transformed (i.e., using familiessuch as sym6, haar, db5, bior2.4, rbio2.4, meyr with scaling factor =256) UV spectrophotometric methods were statistically comparable tothe RP-HPLC reference method (p &amp;gt; 0.05) with regard to accuracyand precision when assaying spiramycin and metronidazole in theircoated tablets. These analytical methods used only green solvent, andproved to be time-saving and cost-effective. Spiramycin ; Derivative (finance) ; Spectral line ; Metronidazole ; Analytical Chemistry (journal) ; Materials science ; Chemistry ; Chromatography ; Physics ; Antibiotics Analytical Methods in Pharmaceuticals ; Antibiotics Pharmacokinetics and Efficacy ; Advanced Chemical Sensor Technologies
Authors: Mahasin Mohamed Dafaa Allah Banaga | A. M. Awadelgied | Nafie Abdallatief Al Muslet | Nadir S. E. Osman
Source: Optics (article, 2021-01-01)
Field: Chemistry — Analytical Chemistry

Use of Raman Spectroscopy for Analysis and Detection of Some Sudanese Edible Oils Vegetable edible oils provide high nutritional and health value in the Sudanese diet. It is also used in the pharmaceutical industry and an essential ingredient in cosmetics. This paper reviews the use of Raman spectroscopy for the analysis, quality and characterization of edible oils, including six types of oils (corn, extra virgin olive, sunflower, factory sesame, presses sesame, and peanut) purchased from local Sudanese stores. The results showed that the spectra of edible oils are similar, but they show some differences that, despite their smallness, allow them to be distinguished from each other. Divide the spectrum into the fingerprint region. The range ranges between (600 and 1800) cm<sup>-1</sup> the silent region", this spectral region is (1800 to 2500) cm<sup>-1</sup>, and range is from (2500 to 3400) cm<sup>-1</sup>, known as the "high wave number region". Raman spectra also pliable the determination of the degree of saturation and unsaturation of oils. This characteristic is related to the value of iodine, and the degree of unsaturation can be used to classify and approve oils, which is especially useful with high-quality oils in the appearance of the vibration modes at 1155 cm<sup>-1</sup> and 1525 cm<sup>-1</sup>. Adulteration of edible oils with cheaper oils is a major concern in the oil industry. The capabilities of a Raman spectrometer were checked to assess the purity of the samples (peanut spectrum and presses sesame spectrum). Raman spectroscopy allowed the examination of secondary components such as sterols, hydrocarbons, terpene alcohols and polyphenols. Raman spectroscopy is used because this innovative method provides fast, non-destructive and reagent-free measurements, samples do not need to be processed and do not require large volumes. Degree of unsaturation ; Raman spectroscopy ; Ingredient ; Iodine value ; Peanut oil ; Chemistry ; Adulterant ; Food science ; Analytical Chemistry (journal) ; Raw material ; Chromatography ; Organic chemistry ; Physics Spectroscopy and Chemometric Analyses ; Advanced Chemical Sensor Technologies ; Edible Oils Quality and Analysis
Authors: Rakesh Kumar
Source: Biomedical Journal of Scientific & Technical Research (article, 2021-09-13)
Field: Chemistry — Organic Chemistry

"Repurposing of Heterocyclic Compounds as Anti- COVID-19 (SARS-Cov-2) Therapeutics: A Review" The ongoing outbreak of the existing and mutated strains of coronavirus has been a cause of great concern worldwide. It has posed critical challenges for medical researchers and public health. Though a staggering number of vaccines have been developed, few of which are still under various phases of clinical trials, the development strategy for the COVID-19 therapy is the need of the hour. Heterocyclic moieties are pivotal in the field of medicine. This review covers the different classes of pre-existing drugs constituting various heterocyclic analogs that have been repurposed for the possible treatment of the COVID-19 disease. Moreover, it can also help the pharmaceutical industry to develop a new class of advanced medicine to fight against Covid-19. Coronavirus disease 2019 (COVID-19) ; Repurposing ; Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) ; 2019-20 coronavirus outbreak ; Drug repositioning ; Virology ; Pandemic ; Coronavirus ; Medicine ; Biology ; Pharmacology ; Drug ; Infectious disease (medical specialty) ; Internal medicine ; Outbreak ; Disease Synthesis and biological activity ; Computational Drug Discovery Methods ; Synthesis and Characterization of Heterocyclic Compounds
Authors: Khuram Faraz | Thomas Grenier | Christophe Ducottet | Thierry Épicier
Source: Microscopy and Microanalysis (article, 2021-07-30)
Field: Materials Science — Materials Chemistry

A Machine Learning pipeline to track the dynamics of a population of nanoparticles during in situ Environmental Transmission Electron Microscopy in gases International audience Track (disk drive) ; Pipeline (software) ; Transmission electron microscopy ; Transmission (telecommunications) ; Population ; In situ ; Action (physics) ; Materials science ; Computer science ; Nanotechnology ; Physics ; Telecommunications ; Meteorology ; Operating system Machine Learning in Materials Science ; Electron and X-Ray Spectroscopy Techniques ; Air Quality Monitoring and Forecasting
Authors: Marius R. Bittermann | Carlos López‐Bueno | Michiel Hilbers | F. Rivadulla | Federico Caporaletti | G. H. Wegdam | Daniel Bonn | Sander Woutersen
Source: Journal of Non-Crystalline Solids X (article, 2021-12-23)
Field: Materials Science — Materials Chemistry

Austen in Amsterdam: Isotope effect in a liquid-liquid transition in supercooled aqueous solution We investigate the H/D isotope effect in a liquid-liquid transition in crystallization-resistant supercooled aqueous solution. Using steady-state infrared spectroscopy and measuring thermal conductivities, we observe a ≈5 K shift in the onset temperature of the liquid-liquid transition, a value that is similar to the H/D isotope shifts of the HDA-LDA transition and of the Widom line of pure supercooled water [Kim et al., Science 358, 1589 (2017)], and that highlights the importance of isotope effects in water's supercooled regime. By employing multivariate data analysis we find isosbestic point related to the phase transformation in both isotopic systems, indicating phase coexistence during the transition. This article is dedicated to the memory of Austen Angell, and we begin with some personal memories of his two stays at the University of Amsterdam. Supercooling ; Phase transition ; Thermodynamics ; Kinetic isotope effect ; Crystallization ; Aqueous solution ; Liquid liquid ; Glass transition ; Analytical Chemistry (journal) ; Isotope ; Materials science ; Chemistry ; Physical chemistry ; Physics ; Deuterium ; Chromatography ; Organic chemistry ; Atomic physics ; Polymer ; Nuclear physics Material Dynamics and Properties ; Phase Equilibria and Thermodynamics ; Theoretical and Computational Physics
Authors: Kristina Serec | Sanja Dolanski Babić
Source: Applied Sciences (article, 2021-06-24)
Field: Chemistry — Analytical Chemistry

Multivariate Analysis as a Tool for Quantification of Conformational Transitions in DNA Thin Films The double-stranded B-form and A-form have long been considered the two most important native forms of DNA, each with its own distinct biological roles and hence the focus of many areas of study, from cellular functions to cancer diagnostics and drug treatment. Due to the heterogeneity and sensitivity of the secondary structure of DNA, there is a need for tools capable of a rapid and reliable quantification of DNA conformation in diverse environments. In this work, the second paper in the series that addresses conformational transitions in DNA thin films utilizing FTIR spectroscopy, we exploit popular chemometric methods: the principal component analysis (PCA), support vector machine (SVM) learning algorithm, and principal component regression (PCR), in order to quantify and categorize DNA conformation in thin films of different hydrated states. By complementing FTIR technique with multivariate statistical methods, we demonstrate the ability of our sample preparation and automated spectral analysis protocol to rapidly and efficiently determine conformation in DNA thin films based on the vibrational signatures in the 1800–935 cm−1 range. Furthermore, we assess the impact of small hydration-related changes in FTIR spectra on automated DNA conformation detection and how to avoid discrepancies by careful sampling. Principal component analysis ; Biological system ; DNA ; Multivariate statistics ; Fourier transform infrared spectroscopy ; Chemistry ; Support vector machine ; Analytical Chemistry (journal) ; Pattern recognition (psychology) ; Computational biology ; Materials science ; Computer science ; Artificial intelligence ; Chromatography ; Biology ; Biochemistry ; Machine learning ; Optics ; Physics Spectroscopy and Chemometric Analyses ; Spectroscopy Techniques in Biomedical and Chemical Research ; Protein Structure and Dynamics
Authors: M. Eric Irrgang | Caroline Davis | Peter M. Kasson
Source: bioRxiv (Cold Spring Harbor Laboratory) (preprint, 2021-07-19)
Field: Chemistry — Spectroscopy

gmxapi: a GROMACS-native Python interface for molecular dynamics with ensemble and plugin support Abstract Gmxapi provides an integrated, native Python API for both standard and advanced molecular dynamics simulations in GROMACS. The Python interface permits multiple levels of integration with the core GROMACS libraries, and legacy support is provided via an interface that mimics the command-line syntax, so that all GROMACS commands are fully available. Gmxapi has been officially supported since the GROMACS 2019 release and is enabled by default in current versions of the software. Here we describe gmxapi 0.3 and later. Beyond simply wrapping GROMACS library operations, the API permits several advanced operations that are not feasible using the prior command-line interface. First, the API allows custom user plugin code within the molecular dynamics force calculations, so users can execute custom algorithms without modifying the GROMACS source. Second, the Python interface allows tasks to be dynamically defined, so high-level algorithms for molecular dynamics simulation and analysis can be coordinated with loop and conditional operations. Gmxapi makes GROMACS more accessible to custom Python scripting while also providing support for high-level data-flow simulation algorithms that were previously feasible only in external packages. Author Summary The gmxapi software provides a Python interface for molecular dynamics simulations in GROMACS. In addition to simply wrapping GROMACS commands, it supports custom user plugin code, ensemble simulation, and data-flow chaining of commands. As such, gmxapi enables the writing and execution of high-level simulation algorithms. The software ships with GROMACS and is freely available under an LGPL2 license. Python (programming language) ; Computer science ; Plug-in ; Chaining ; Software ; Programming language ; Interface (matter) ; Computational science ; Scripting language ; Molecular dynamics ; MIT License ; Parallel computing ; Operating system ; Chemistry Mass Spectrometry Techniques and Applications ; Machine Learning in Materials Science ; Nanopore and Nanochannel Transport Studies
Authors: İrfan EMRE | Türker Tuncer | Şengül Doğan | Murat Kürşat | Osman GEDİK | Yaşar Kıran
Source: Bitlis Eren University Journal of Science and Technology (article, 2021-12-07)
Field: Chemistry — Analytical Chemistry

An Accurate HOG based Exemplar Pyramid Method for Image Classification of Astragalus L. Taxa As known from the literature, machine learning (ML) is one of the popular researches have been used variable areas. In this work, a novel exemplar pyramid method is presented to accurately classify Astragalus L. taxa by using their chromosome images. To implement ML to biological images, the proposed exemplar pyramid method is used. Histogram of Oriented Gradients (HOG) is utilized as feature generator. The proposed exemplar pyramid method consists of preprocessing, feature generation and concatenation, feature selection and classification phase. 10 classifiers are chosen to train and test the extracted features. According to results, the proposed exemplar pyramid generates discriminative features. because five of the used 10 classifiers achieved 100.0% classification rate. Artificial intelligence ; Pyramid (geometry) ; Pattern recognition (psychology) ; Histogram ; Feature selection ; Discriminative model ; Histogram of oriented gradients ; Preprocessor ; Concatenation (mathematics) ; Computer science ; Feature (linguistics) ; Feature extraction ; Image (mathematics) ; Mathematics Spectroscopy and Chemometric Analyses ; Traditional Chinese Medicine Studies ; Smart Agriculture and AI
Authors: S. Dilip Kumar | T.V. Sivasubramonia Pillai
Source: Computer Systems Science and Engineering (article, 2021-10-08)
Field: Chemistry — Analytical Chemistry

Detection of Fuel Adulteration Using Wave Optical with Machine Learning Algorithms Fuel is a very important factor and has considerable influence on the air quality in the environment, which is the heart of the world. The increase of vehicles in lived-in areas results in greater emission of carbon particles in the environment. Adulterated fuel causes more contaminated particles to mix with breathing air and becomes the main source of dangerous pollution. Adulteration is the mixing of foreign substances in fuel, which damages vehicles and causes more health problems in living beings such as humans, birds, aquatic life, and even water resources by emitting high levels of hydrocarbons, nitrogen oxides, and carbon monoxide. Most frequent blending liquids are lubricants and kerosene in the petrol, and its adulteration is a considerable problem that adds to environmental pollution. This study focuses on detecting the adulteration in petrol using sensors and machine learning algorithms. A modified evanescent wave optical fiber sensor with discrete wavelet transform is proposed for classification of adulterated data from the samples. Furthermore, support vector machine classifier is used for accurate categorization. The sensor is first tested with fuel and numerical data is classified based on machine learning algorithms. Finally, the result is evaluated with less error and high accuracy of 99.9%, which is higher than all existing techniques. Gasoline ; Kerosene ; Algorithm ; Support vector machine ; Computer science ; Artificial intelligence ; Machine learning ; Environmental science ; Process engineering ; Engineering ; Waste management ; Chemistry Spectroscopy and Chemometric Analyses ; Spectroscopy Techniques in Biomedical and Chemical Research ; Water Quality Monitoring and Analysis
Authors: Ehsanur Rashid | Raihan Ul Haque | Rubel Khan
Source: European Scientific Journal ESJ (review, 2021-10-30)
Field: Materials Science — Polymers and Plastics

Compact Spinning in Cotton-based Core-spun Yarn: A Review In today's world, textile outfits are chosen not only for their functional properties but also for their comfort. As cotton is synonymous with comfort in textile industries, cotton-based core-spun yarn is becoming increasingly popular day by day, where the core element satisfies the functional properties and the cotton sheath provides a good hand feel and comfort. At the beginning of the twenty-first century, researchers developed a new spinning modification known as the compact spinning system to improve yarn quality. In cotton-based compact core-spun yarn, reduced hairiness, unevenness (U%), thick place, thin place, neps, and increased strength are achieved. This will also lead to significant abrasion and piling resistance, higher air permeability, lower thermal resistance, and higher Relative Water Vapor Permeability (RWVP). This review paper illustrates the advantages of spinning cotton-based core-spun yarn in the compact spinning system. Yarn ; Spinning ; Composite material ; Core (optical fiber) ; Textile ; Air permeability specific surface ; Materials science ; Breaking strength ; Mechanical engineering ; Engineering Textile materials and evaluations