jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Jing Chen | Xiaoquan Lu
Source: Frontiers in Chemistry (article, 2022-04-07)
Field: Chemistry — Analytical Chemistry

How to Resolve the Maximum Valuable Information in Complex NIR Signal: A Practicable Method Based on Wavelet Transform A key problem in the field of near infrared (NIR) spectrum study is to obtain the valuable information from the complex NIR signal. A maximum information extraction method based on Wavelet Transform (WT) is proposed in this paper for helping the relative researchers to resolve the signal. The results show that the method can serve as an effective tool for obtaining the maximum valuable information in NIR study. SIGNAL (programming language) ; Wavelet ; Wavelet transform ; Computer science ; Near-infrared spectroscopy ; Key (lock) ; Artificial intelligence ; Field (mathematics) ; Pattern recognition (psychology) ; Mathematics ; Optics ; Physics Spectroscopy and Chemometric Analyses ; Spectroscopy Techniques in Biomedical and Chemical Research ; Fault Detection and Control Systems
Authors: P. Asha | R. Balaraman | Gokula Priya | Viswas Koundinyan | Ra. Aravind | S. Karthikeyan
Source: International Journal of Industrial Engineering (article, 2022-10-28)
Field: Materials Science — Polymers and Plastics

Mechanical Characteristics of Lathe Scrap Waste Fiber with Concrete The purpose of this study is to determine whether waste from lathes is suitable for use in concrete as a partial substitute for coarse aggregate. The percentages of lathe waste that are utilized to substitute aggregates in terms of weight are as follows: 4%, 6%, and 10%. Twelve concrete cubes of grade M20 were made in total before the mix was used. In addition to the main components of concrete, the cubes are cast with 4%, 6%, and 10% of lathe waste. The specimens are allowed to be cured for a total of 28 days. To investigate the attributes of strength that concrete has, both compression and split tensile strength tests are carried out. It is concluded that lathe wasteisalowweightmaterialand4% replacement of lathe waste in the concrete is more efficient and beneficial. Thus, it can be said that using lathe waste in concrete with 4% replacement for aggregates is advantageous compared to using standard concrete, which also minimizes environmental pollution while also giving the waste material a financial return. The constituent materials employed in this investigation include waste lathe scrap fibre, cement, fine and coarse aggregate, and water. Use of OPC 53 grade cement and cement's chemical makeup. Scrap ; Ultimate tensile strength ; Cement ; Compressive strength ; Environmental pollution ; Properties of concrete ; Compression (physics) Natural Fiber Reinforced Composites
Authors: Sunny Kumar | Kashish Arora | Pardeep Singh | Akhilesh Gupta | Isha Sharma | Kamal Vatta
Source: Agricultural Economics Research Review (article, 2022-12-01)
Field: Chemistry — Analytical Chemistry

Performance comparison of ARIMA and Time Delay Neural Network for forecasting of potato prices in India Accurate, timely and adequate forecasting of perishable crops have significant impact on the farmers’ well-being in Indian agriculture. The time series data of these perishable commodities usually violate the assumptions of time-series datasets i.e., linearity and stationarity. In such conditions, the development and selection of the appropriate forecasting models for agricultural commodities plays an imperative role for various policy decisions. In this study, we are focused on comparison of ARIMA (linear) and TDNN (non-linear) models to accurately model the potato price. The inclusion of these nonlinear model in this study handles nonstationary, nonlinear, and non-normal features of datasets simultaneously. The findings revealed that TDNN outperformed ARIMA, and it is regarded as the best fit model in terms of minimal RMSE and MAPE value. The identification of the best forecasting model and accurate forecasting of market prices would help all the stakeholders to take appropriate decisions. Autoregressive integrated moving average ; Artificial neural network ; Veterinary medicine ; Mathematics ; Agriculture ; Statistics ; Econometrics ; Computer science ; Biology ; Artificial intelligence ; Time series ; Medicine ; Ecology Spectroscopy and Chemometric Analyses
Authors: Clément Majorel | Adelin Patoux | Ana Estrada‐Real | Bernhard Urbaszek | Christian Girard | Arnaud Arbouet | Peter R. Wiecha
Source: arXiv (Cornell University) (article, 2022-04-28)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Generalizing the exact multipole expansion: Density of multipole modes in complex photonic nanostructures The multipole expansion of a nano-photonic structure's electromagnetic response is a versatile tool to interpret optical effects in nano-optics, but it only gives access to the modes that are excited by a specific illumination. In particular the study of various illuminations requires multiple, costly numerical simulations. Here we present a formalism we call "generalized polarizabilities", in which we combine the recently developed exact multipole decomposition [Alaee et al., Opt. Comms. 407, 17-21 (2018)] with the concept of a generalized field propagator. After an initial computation step, our approach allows to instantaneously obtain the exact multipole decomposition for any illumination. Most importantly, since all possible illuminations are included in the generalized polarizabilities, our formalism allows to calculate the total density of multipole modes, regardless of a specific illumination, which is not possible with the conventional multipole expansion. Finally, our approach directly provides the optimum illumination field distributions that maximally couple to specific multipole modes. The formalism will be very useful for various applications in nano-optics like illumination-field engineering, or meta-atom design e.g. for Huygens metasurfaces. We provide a numerical open source implementation compatible with the pyGDM python package. Multipole expansion ; Fast multipole method ; Formalism (music) ; Physics ; Photonics ; Computation ; Propagator ; Python (programming language) ; Electromagnetic field ; Optics ; Computational physics ; Quantum mechanics ; Computer science ; Algorithm Metamaterials and Metasurfaces Applications ; Plasmonic and Surface Plasmon Research ; Orbital Angular Momentum in Optics
Authors: Linao Li | Xinlao Wei
Source: Energies (article, 2022-05-08)
Field: Materials Science — Materials Chemistry

Power Interference Suppression Method for Measuring Partial Discharges under Pulse Square Voltage Conditions Partial discharge (PD) is an important metric for the insulation diagnosis of power equipment. However, its detection is affected by the strong electromagnetic interference generated by pulse square voltage. We therefore propose a power interference suppression method for partial discharges under pulse square voltage based on a quadratic measurement method. We conduct analysis of the topology circuit when partial discharge occurs in the insulation test sample and introduce the basic principle of the secondary measurement method according to the superposition principle and the linear relationship between the square voltages at different peak values. We verify the feasibility of this method by simulating a PD signal with power interference. Subsequently, we use the successive interception comparison method to solve the non-correspondence of the two initial measurement points problem and design and manufacture the transformer turn-to-turn oil-paper insulation test sample and experimental tank. By measuring the PD starting voltage of the insulation test sample under the power frequency voltage, we determined the first measurement voltage under the pulse square voltage and obtained the signal x1(t) to subsequently measure the PD signal x2(t). According to the proposed successive interception comparison method, the signal x1(t) is processed, and the secondary measurement method suppresses the power interference of the measured signal x2(t). We demonstrate that the proposed method effectively suppresses the power interference in PD detection under a pulse square voltage. Partial discharge ; Voltage ; Superposition principle ; Interference (communication) ; SIGNAL (programming language) ; Electrical engineering ; Power (physics) ; Acoustics ; Mathematics ; Engineering ; Physics ; Computer science ; Channel (broadcasting) ; Mathematical analysis High voltage insulation and dielectric phenomena ; Power Transformer Diagnostics and Insulation ; Electrical Fault Detection and Protection
Authors: Matthew White | Jesús Gil | Edward W. Tate
Source: bioRxiv (Cold Spring Harbor Laboratory) (preprint, 2022-12-14)
Field: Chemistry — Organic Chemistry

Proteome-wide structure-based accessibility analysis of ligandable and detectable cysteines in chemoproteomic datasets Abstract Covalent drug discovery, in particular targeting reactive cysteines, has undergone a resurgence over the past two decades, demonstrated by recent clinical successes of covalent inhibitors for high-priority cancer targets. Reactive cysteine profiling, first pioneered by the Cravatt lab, has emerged in parallel as a powerful approach for proteome-wide on- and off-target profiling. Thus far however, structural analysis of liganded cysteines has been restricted to experimentally determined protein structures. We combined AlphaFold-predicted amino acid side chain accessibilities for &gt;95% of the human proteome with a meta-analysis of thirteen public cysteine profiling datasets, totalling 40,070 unique cysteine residues, revealing accessibility biases in sampled cysteines primarily dictated by warhead chemistry. Analysis of &gt;3.5 million cysteine-fragment interactions further suggests that exposed cysteine residues are preferentially targeted by elaborated fragments and drug-like compounds. We finally propose a framework for benchmarking coverage of ligandable cysteines in future cysteine profiling approaches, considering both selectivity for high-priority residues and quantitative depth. All analysis and produced resources (freely available at www.github.com/TateLab ) are readily extendable to reactive amino acids beyond cysteine, and related questions in chemical biology. Cysteine ; Proteome ; Computational biology ; Profiling (computer programming) ; Amino acid ; Chemistry ; Benchmarking ; Drug discovery ; Amino acid residue ; Biochemistry ; Covalent bond ; Computer science ; Biology ; Peptide sequence ; Gene ; Enzyme Click Chemistry and Applications ; Peptidase Inhibition and Analysis ; Chemical Synthesis and Analysis
Authors: Yan Wang | Chong Li | Baorui Zhao
Source: Sensors and Materials (article, 2022-03-09)
Field: Materials Science — Materials Chemistry

Measurement of Water Content of Crude Oil Using Quartz Crystal Microbalance The water content of crude oil is an important parameter in oilfield development. It plays an important role in determining the water production of oil wells and the location of the oil layer, in estimating crude oil production, and in evaluating the value of production. The problem of inaccurate measurement of the high and low water cuts has always existed in oilfield development. In this paper, a systematic method of applying quartz crystal microbalance (QCM) liquid phase detection technology to the water content measurement of crude oil is proposed, and the water content of six standard glycerol solutions is measured. The results show that the error between the theoretical and experimental values is very small (<3%) and that the magnitude of the error hardly increases at low and high water contents (increase <1%). Repeated experiments also verify the effectiveness of the method. Finally, the field measurement results of water content of crude oil confirm the applicability of the model. This method will help improve the measurement accuracy of the water content of crude oil over a wider range of water content, which is of great significance for the application of the QCM in oilfield development. Quartz crystal microbalance ; Crude oil ; Quartz ; Water content ; Chemistry ; Environmental chemistry ; Petroleum engineering ; Analytical Chemistry (journal) ; Materials science ; Geology ; Composite material ; Adsorption ; Organic chemistry ; Geotechnical engineering Crystallization and Solubility Studies ; Analytical Chemistry and Chromatography ; Chemical Thermodynamics and Molecular Structure
Authors: Luca Bifano | Gerhard Fischerauer
Source: tm - Technisches Messen (article, 2022-08-29)
Field: Materials Science — Materials Chemistry

Unsicherheit der elektrischen Impedanzspektroskopie bei Schüttgütern Zusammenfassung Während die prinzipielle Eignung der elektrischen Impedanzspektroskopie (EIS) zur Charakterisierung und Zustandsüberwachung von Materialsystemen gesichert ist, bestehen bei der Reproduzierbarkeit und der Unsicherheit von EIS-Messungen in Feldanwendungen vielfach noch Erkenntnislücken. Dies gilt besonders bei Schüttgütern - wir interessieren uns speziell für Gießereisande -, weil man Schwankungen bei der Schüttungsdichte oder der Befüllungshöhe von Messzellen erwarten darf. Wir haben diese offene Frage der Messunsicherheit mit einer Messzelle untersucht, bei der zwischen zwei planparallelen Elektroden wiederholt Schüttungen eingefüllt und die resultierende Impedanz der Anordnung in einem Frequenzbereich von 20 Hz bis 1MHz gemessen wurde. Die Unsicherheit der EIS-Gerätschaften an sich wurde über Wiederholungsmessungen bei gleichbleibender Messzellenfüllung bestimmt. Der Einfluss des Befüllungsvorgangs und damit der Schüttungszusammensetzung auf die Gesamtunsicherheit wurde über mehrmalige Befüllungs- Entleerungs-Zyklen mit ein und demselben Schüttgut untersucht. Es konnte gezeigt werden, dass die Gesamtmessunsicherheit klein genug ist, dass eine Klassifizierung verschiedener Sandzustände, sei es mit klassischen Methoden oder mit Hilfe von KI-Methoden, machbar erscheint. Gynecology ; Physics ; Chemistry ; Molecular biology ; Medicine ; Biology Corrosion Behavior and Inhibition ; Physics and Engineering Research Articles ; Extraction and Separation Processes
Authors: A. A. Skleznev | A. A. Chervyakov | I. G. Agapov
Source: Civil Aviation High TECHNOLOGIES (article, 2022-09-06)
Field: Materials Science — General Materials Science

Solution of the optimization problem for the purpose of designing a lattice polymer composite structure with the outer skin In recent years, the urgency of the problem of launch vehicles load-bearing elements optimal design has continued to grow. One of the widespread structural designs is an anisogrid lattice structure made of polymer composite materials. Such structures are mass-produced and used as load-bearing bodies of space vehicles or fuselage compartments of atmospheric aircraft of advanced structural design. Until now, the weight and parameters of the skins used in products of rocket and space equipment have not been considered when solving optimal design problems, and the design problem has been reduced to optimizing lattice structures without skin. At the same time, the very use of skins for both atmospheric aircraft and load-bearing elements for space applications is a fairly common practice. However, not considering the availability of skin when designing a lattice load-bearing shell can lead to a significant increase in the mass of the structure with skin when applicable. The paper presents a method for the optimal design of lattice structures without ring ribs, but with the metal skin available, which can significantly reduce the weight of such structures, increasing the mass efficiency of products made of polymer composite materials used in aircraft. A confirmation of the results obtained with the help of an analytical solution and the results of a numerical experiment, obtained by modeling using the finite element method, is given. It is expected that the use of the proposed approach by considering the contribution of the skin response can lead to mass saving of the shell anisogrid structure up to 30 % compared with the methods of optimal design of lattice anisogrid structures currently used without considering the availability of skin in the design of the product. Fuselage ; Load bearing ; Finite element method ; Aerospace ; Lattice (music) ; Structural engineering ; Optimal design ; Mechanical engineering ; Composite number ; Bearing (navigation) ; Computer science ; Aerospace engineering ; Materials science ; Engineering ; Composite material ; Physics Material Properties and Applications ; Heat Transfer and Mathematical Modeling ; Advanced Theoretical and Applied Studies in Material Sciences and Geometry
Authors: Azhar Hussain Malik
Source: Advancements in Civil Engineering & Technology (article, 2022-09-06)
Field: Materials Science — Materials Chemistry

Recent Developments in Concrete as a Gamma Ray Shielding Material Concrete with fillers can serve as a shield material against harmful radiation effects due to availability of materials, low cost, high strength, and adaptability in various environments. An overview of the recent developments in concrete as a gamma ray shielding material along with important aspects of aggregates in various nuclear isotope applications in presented. Electromagnetic shielding ; Radiation shielding ; Shield ; Adaptability ; Forensic engineering ; Materials science ; Construction engineering ; Nuclear engineering ; Environmental science ; Engineering ; Composite material ; Geology Graphite, nuclear technology, radiation studies ; Radiation Shielding Materials Analysis ; Nuclear and radioactivity studies
Authors: A. B. Ehinmowo | Oluwasanmi O. Talabi | E. O. Ajala | Olugbenga Olamigoke | M. E. Ojewumi
Source: FUOYE Journal of Engineering and Technology (article, 2022-03-18)
Field: Chemistry — Analytical Chemistry

An Enhanced Model for the prediction of Minimum Transport Conditions in Multiphase Flow Systems Hydrocarbon production accompanied by the flow of sand from reservoirs is unavoidable as many of the formations are poorly consolidated. The deposition of the produced sand at low velocities or production of sand at very high velocity can pose serious challenges to the condition of the petroleum pipeline as it can lead to pipeline capacity reduction and degradation respectively. It is therefore important to investigate the minimum transport velocity that prevents sand deposition in the pipelines. In this study, the firefly optimization algorithm (FFA) was used in the development of the improved model for the prediction of minimum transport condition (MTC) in a multiphase pipeline. The model development was implemented using the MATLAB software package. The input parameters were sand concentration, particle diameter, viscosity, density and superficial velocity of the hydrocarbons. The developed model was observed to perform better than the base model with a R2 value of 0.9845 and 0.8149 for the developed model and base model respectively. The newly developed model was also compared with some existing models and the statistical measures show that the developed model gave a better performance. This enhanced model can be used for the prediction of MTC in multiphase pipelinesKeywords— Algorithms, Artificial Neural Network (ANN), Firefly algorithm (FFA), Minimum Transport Condition (MTC) Firefly algorithm ; Pipeline transport ; Deposition (geology) ; Pipeline (software) ; MATLAB ; Multiphase flow ; Petroleum engineering ; Artificial neural network ; Base (topology) ; Viscosity ; Flow (mathematics) ; Computer science ; Simulation ; Environmental science ; Mechanics ; Engineering ; Materials science ; Algorithm ; Geology ; Particle swarm optimization ; Mathematics ; Environmental engineering ; Mechanical engineering ; Artificial intelligence ; Geometry Petroleum Processing and Analysis ; Drilling and Well Engineering ; Reservoir Engineering and Simulation Methods
Authors: M.M. Arce | D. Castro‐Reigía | L.A. Sarabia | M.C. Ortiz | S. Sanllorente
Source: Journal of Chromatography A (article, 2022-06-15)
Field: Chemistry — Spectroscopy

Procedure to explore a ternary mixture diagram to find the appropriate gradient profile in liquid chromatography with fluorescence detector. Application to determine four primary aromatic amines in napkins The purpose of this work is to develop a tool to search for a gradient profile with ternary or binary mixtures in liquid chromatography, that can provide well-resolved chromatograms in the shortest time for multianalyte analysis. This approach is based exclusively on experimental data and does not require a retention time model of the compounds to be separated. The methodology has been applied for the quantification of four primary aromatic amines (PAAs) using HPLC with fluorescence detector (FLD). Aniline (ANL), 2,4-diaminotoluene (TDA), 4,4'-methylenedianiline (MDA) and 2-aminobiphenyl (ABP) have been selected since their importance in food contact materials (FCM). In order to achieve that, partial least squares (PLS) models have been fitted to relate CMP (control method parameters) and CQA (critical quality attributes). Specifically, PLS models have been fitted using 30 experiments for each one of the four CQA (resolution between peaks and total elution time), considering 33 predictor variables (the composition of the methanol and acetonitrile in the mobile phase and the time of each one of the 11 isocratic segments of the gradient). These models have been used to predict new candidate gradients, and then, some of those predictions (the ones with resolutions above 1.5, in absolute value, and final time lower than 20 min) have been experimentally validated. Detection capability of the method has been evaluated obtaining 1.8, 189.4, 28.8 and 3.0 µg L<sup>-1</sup> for ANL, TDA, MDA and ABP, respectively. Finally, the application of chemometric tools like PARAFAC2 allowed the accurate quantification of ANL, TDA, MDA and ABP in paper napkins in the presence of other interfering substances coextracted in the sample preparation process. ANL has been detected in the three napkins analysed in quantities between 33.5 and 619.3 µg L<sup>-1</sup>, while TDA is present in only two napkins in quantities between 725.9 and 1908 µg L<sup>-1</sup>. In every case, the amount of PAAs found, exceeded the migration limits established in European regulations. Chemistry ; Chromatography ; Ternary operation ; Resolution (logic) ; Gradient elution ; Analytical Chemistry (journal) ; High-performance liquid chromatography ; Fluorescence ; Partial least squares regression ; Acetonitrile ; Elution ; Detector ; Fluorescence spectroscopy ; Statistics ; Artificial intelligence Analytical Chemistry and Chromatography ; Spectroscopy and Chemometric Analyses ; Advanced Chemical Sensor Technologies