jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Xiangtang Li | Hang Hu | Julia Laskin
Source: ChemRxiv (preprint, 2023-05-02)
Field: Chemistry — Spectroscopy

High-Resolution Integrated Microfluidic Probe for Mass Spectrometry Imaging of Biological Tissues Nanospray desorption electrospray ionization (nano-DESI) is an ambient ionization technique that enables molecular imaging of biological samples with high spatial resolution. We have recently developed an integrated microfluidic probe (iMFP) for nano-DESI mass spectrometry imaging (MSI) that significantly enhances the robustness of the technique. Herein, we report the design and performance of a second-generation iMFP for imaging with high spatial resolution. The new iMFP features smaller primary and spray channels and a new configuration of the sampling port that enables robust imaging of tissues with a spatial resolution of 8-10 µm. We demonstrate the spatial resolution, sensitivity, durability, and throughput of the iMFP by imaging mouse uterine and brain tissue sections. With a scan rate of 0.2 mm/s, we obtained high-resolution images of a mouse uterine tissue section (scanned area: 2.9 mm × 3.2 mm) in less than 29 minutes without sacrificing sensitivity. This corresponds to a 10-fold improvement in the experimental throughput in comparison with previously reported high-resolution nano-DESI MSI experiments. Overall, the new probe design opens opportunities for mapping biomolecules in biological samples with high throughput and cellular resolution, which is important for understanding biological systems. Mass spectrometry imaging ; Image resolution ; MALDI imaging ; Resolution (logic) ; Mass spectrometry ; Biomolecule ; Microfluidics ; Biological tissue ; Chemistry ; Materials science ; Analytical Chemistry (journal) ; Nanotechnology ; Desorption ; Optics ; Matrix-assisted laser desorption/ionization ; Chromatography ; Physics ; Computer science Mass Spectrometry Techniques and Applications ; Microfluidic and Capillary Electrophoresis Applications ; Ion-surface interactions and analysis
Authors: Juliana Jansen Ferreira | Vinícius Segura | Joana G. R. Souza | Gabriel Diniz Junqueira Barbosa | João Gallas | Renato Cerqueira | Dmitry Yu. Zubarev
Source: arXiv (Cornell University) (preprint, 2023-04-11)
Field: Materials Science — Materials Chemistry

Human-AI Co-Creation Approach to Find Forever Chemicals Replacements Generative models are a powerful tool in AI for material discovery. We are designing a software framework that supports a human-AI co-creation process to accelerate finding replacements for the ``forever chemicals''-- chemicals that enable our modern lives, but are harmful to the environment and the human health. Our approach combines AI capabilities with the domain-specific tacit knowledge of subject matter experts to accelerate the material discovery. Our co-creation process starts with the interaction between the subject matter experts and a generative model that can generate new molecule designs. In this position paper, we discuss our hypothesis that these subject matter experts can benefit from a more iterative interaction with the generative model, asking for smaller samples and ``guiding'' the exploration of the discovery space with their knowledge. Generative grammar ; Subject-matter expert ; Process (computing) ; Computer science ; Domain (mathematical analysis) ; Subject matter ; Generative model ; Domain knowledge ; Data science ; Subject (documents) ; Tacit knowledge ; Business process discovery ; Chemical space ; Artificial intelligence ; Knowledge management ; Drug discovery ; Engineering ; Work in process ; Business process ; World Wide Web ; Expert system ; Chemistry ; Mathematics Machine Learning in Materials Science
Authors: Chang Liu | Bao Du | Peng Song
Source: arXiv (Cornell University) (preprint, 2023-02-19)
Field: Materials Science — Materials Chemistry

An efficient numerical method for charged particle transport based on hybrid collision model and machine learning Charged particle transport is an important energy transport mode in the combustion process of inertial confinement fusion plasma. On the one hand, charged particles inside the hot spot have a strong non-equilibrium effect, so it is necessary to solve the Boltzmann transport equation to simulate the energy transport process of charged particles accurately. On the other hand, charged particle transport has the characteristics of high collision frequency and complex blocking power, so the calculation amount of the traditional Monte Carlo algorithm is difficult to bear under the existing calculation conditions. Aiming at the computational bottleneck caused by the large Coulomb potential collision cross-section, we developed a hybrid collision model which greatly reduced the computational cost while maintaining the second-order accuracy of the collision process. In order to solve the computational bottleneck caused by the complex blocking power model, we developed a neural network model based on machine learning to achieve formal unity and efficient calculation of different blocking power. Based on the calculation method, we developed the charged particle transport MC function modules of the RDMG program and LARED-S program and applied them to the study of critical target performance of inertial confinement fusion, which showed good computational efficiency and accuracy. Bottleneck ; Collision ; Computer science ; Monte Carlo method ; Charged particle ; Inertial frame of reference ; Physics ; Statistical physics ; Computational physics ; Simulation ; Classical mechanics ; Mathematics ; Quantum mechanics Fusion materials and technologies ; Laser-Plasma Interactions and Diagnostics ; Magnetic confinement fusion research
Authors: Dhidik Prastiyanto | Esa Apriaskar | Prima Astuti Handayani | R Destanto | Viyola Lokahita Bilqis
Source: Power Engineering and Engineering Thermophysics (article, 2023-09-25)
Field: Chemistry — Organic Chemistry

Modeling of Microwave Heating Systems with Octagonal Tube Cavities: A Comparative Study of Fuzzy-Based and ARX Approaches In the quest to design a robust model for microwave heating systems with symmetrical octagonal tube cavities (MWHSO), a fuzzy-based approach, specifically the Takagi Sugeno Fuzzy Model, was explored to capture the dynamics of the heating process. To achieve this, the mathematical model was adaptively adjusted according to varying input conditions through the utilization of fuzzy logic. Input data were sourced from two magnetrons, with the system outputs derived from measurements acquired from five temperature sensors placed on the heated object. For performance evaluation, the Root Mean Square Error (RMSE) was employed. A comparison was drawn with the autoregressive model with exogenous variable (ARX), a traditional approach wherein the system's mathematical model remains static. Simulation studies were conducted, treating every probe measurement across all dataset validations as distinct cases. It was found that the T-S Fuzzy model surpassed the ARX40 in performance in 33 of the total cases, accounting for 92.49%. The most notable performance of the fuzzy-based approach was observed at a 180-Watt power input, recording an average RMSE of 0.00574 across the five sensors. In contrast, the ARX-based model registered an RMSE of 0.01256. These findings suggest that the fuzzy-based modeling approach presents a compelling alternative for representing the dynamic heating processes within MWHSO. Fuzzy logic ; Mean squared error ; Autoregressive model ; Microwave ; Control theory (sociology) ; Root mean square ; Process (computing) ; System dynamics ; Computer science ; Mathematics ; Algorithm ; Simulation ; Engineering ; Statistics ; Artificial intelligence Microwave-Assisted Synthesis and Applications ; Microwave and Dielectric Measurement Techniques
Authors: Larissa Ribas dos Santos | Ramón Sigifredo Cortés Paredes | Fernanda Silva | Rullian Ferreira Pinheiro | Gustavo Bavaresco Sucharski
Source: Anais do Congresso Internacional de Engenharia Mecânica e Industrial (article, 2023-01-01)
Field: Chemistry — Inorganic Chemistry

AVALIAÇÃO DE CORROSÃO DO REVESTIMENTO DE COMPÓSITO PENTÓXIDO DE NIÓBIO E ALUMÍNIO APLICADO POR ASPERSÃO TÉRMICA CHAMA A PÓ Anais do Congresso Internacional de Engenharia Mecânica e Industrial (2764-4294) - Avaliação De Corrosão Do Revestimento De Compósito Pentóxido De Nióbio E Alumínio Aplicado Por Aspersão Térmica Chama A Pó Non-blocking I/O ; Alum ; Physics ; Humanities ; Materials science ; Chemistry ; Metallurgy ; Art ; Catalysis Pigment Synthesis and Properties
Authors: V.G. Bazhenov | Yu. O. Kalenychenko | S.S. Ratsebarskyi
Source: Scientific notes of Taurida National V I Vernadsky University Series Technical Sciences (article, 2023-01-01)
Field: Materials Science — Materials Chemistry

USING NEURAL NETWORKS FOR DETERMINATION OF HARDNESS OF STEEL SAMPLES WITH A STRUCTURESCOPE BASED ON HIGHER HARMONICS Harmonics ; Artificial neural network ; Materials science ; Metallurgy ; Acoustics ; Computer science ; Artificial intelligence ; Engineering ; Physics ; Electrical engineering Material Properties and Failure Mechanisms ; Engineering Diagnostics and Reliability
Authors: A. Al-Shammari | Osamah Alomair | Adel Elsharkawy
Source: International Journal of Petroleum and Petrochemical Engineering (article, 2023-01-01)
Field: Chemistry — Analytical Chemistry

Oil Viscosity Models for Greater Burgan Oilfield-Kuwait The purpose of this work is to develop simple black oil models to predict oil viscosity (Dead, bubble point, saturated, and undersaturated) for Greater Burgan oil field under different conditions of pressure and temperature.using large data bank.This paper is structured as introduction and review to various published models and their range of applicability, data bank of Burgan oil field, assessment of the previously published models, development of new models, discussion of the accuracy and validity of the new models, finally limitation, and summary and conclusion.Viscosity is one of the most important physical properties of crude oils.Crude oil viscosity, which is a measure of its fluidity, is a critical required parameter for many aspects of petroleum engineering calculations.Knowledge of crude oil viscosity helps in evaluating fluid flow in a reservoir, determining the most suitable method to recover oil from a specific reservoir, and defining the amounts of recoverable oil under primary, secondary, or enhanced methods.In reservoir studies, viscosity values are required for material balance calculations, estimates of oil initially in place, reserves, future reservoir performance, and ultimate hydrocarbon recovery.Viscosity is also very important for the design of production equipment and pipelines.Reservoir simulators require oil viscosity under different conditions of pressures and temperatures, and the accuracy of viscosity values can conclusively affect simulation results.Viscosity data are currently obtained through standard pressure-volume-temperature (PVT) laboratory analysis.Time and cost of oil viscosity measurements are the main disadvantages of such laboratory analysis.Even though experimental Viscosity ; Bubble point ; Relative viscosity ; Thermodynamics ; Viscosity index ; Oil viscosity ; Petroleum engineering ; Enhanced oil recovery ; Reduced viscosity ; Temperature dependence of liquid viscosity ; Materials science ; Bubble ; Geology ; Mechanics ; Physics ; Composite material Petroleum Processing and Analysis ; Enhanced Oil Recovery Techniques ; Phase Equilibria and Thermodynamics
Authors: Mr Mayur | Diksha Patil | Pooja Paratwar | V Bhaskarwar Tushar | R Rupali | Bairagi | J Enslin | P Heskes | U Borup | F Blaabjerg | P Enjeti | P Jintakosonwit | H Fujita | H Akagi | S Ogasawara | S Kjaer | J Pedersen | ; Blaabjerg | R Teodorescu | M Liserre | A Timbus | J Carrasco | L Franquelo | J Bailiwick | E Galvan | R Guisado | M Prats | J Len | N Alfonso | B Renders | K De Gusseme | W Ryckaert | K Stockman | L Vandevelde | M Bollen | V Khadkikar | A Chandra | A Barry | T Nguyen | M Singh | J Pinto | R Pregitzer | L Monteiro | J Afonso
Source: International Research Journal of Modernization in Engineering Technology and Science (article, 2023-05-23)
Field: Materials Science — General Materials Science

IMPROVEMENT OF POWER QUALITY BY REDUCING HARMONIC DISTORTION IN MICROGRIDS BY USING ANN AND SHUNT ACTIVE POWER FILTER TECHNIQUES Now a day's microgrid plays an imperative role in electrical power system to accomplish the load demand at distribution side. Power quality is the main concern in microgrid, the injection of nonlinear loads is answerable for load-side harmonic current. It is necessary to analyze the effect of nonlinear and linear loads on power quality. . In this paper describe the method of Artificial Neural Network (ANN) and Shunt Active Power Filter Techniques used to compensate harmonics and improve power quality. A new Artificial Neural Network (ANN) based fundamental abstraction based on trained by a back propagation algorithm is proposed. This paper presents another plan of reducing current harmonics at the supply side of many non-linear loads employing and ANN controller. MATLAB/Simulink based mostly simulation results show satisfactory performance of the given system. Total harmonic distortion ; Power quality ; Harmonics ; Shunt (medical) ; Harmonic ; Electronic engineering ; Active filter ; Harmonic analysis ; Distortion (music) ; Computer science ; Control theory (sociology) ; Electrical engineering ; Engineering ; Acoustics ; Physics ; Medicine ; Voltage ; Artificial intelligence ; Cardiology Material Properties and Applications ; Induction Heating and Inverter Technology
Authors: Hyo In Yoon | Da Hye Ryu | Jai-Eok Park | Ho‐Youn Kim | Jung‐Seok Yang | Soo Hyun Park
Source: Research Square (preprint, 2023-05-30)
Field: Chemistry — Analytical Chemistry

Non-destructive prediction of rosmarinic acid content in basil plants using a portable hyperspectral imaging system and ensemble learning algorithms <title>Abstract</title> <bold>Background</bold>: Rosmarinic acid (RA) is a phenolic antioxidant naturally occurring in plants of the <italic>Lamiaceae</italic> family, including basil <italic>(Ocimum basilicum</italic> L.). Existing analytical methods for determining RA content in leaves are time-consuming and destructive, which poses limitations on quality assessment and control during cultivation. In this study, we aimed to develop non-destructive prediction models for RA content in basil plants using a portable hyperspectral imaging (HSI) system and machine learning algorithms. The basil plants were grown in a vertical farm module with controlled environments, and the HSI of the whole plant was captured using a portable HSI camera in the range of 400–850 nm. The average spectra were extracted from the segmented regions of the plants. We employed several spectral data pre-processing methods and ensemble learning algorithms, such as Random Forest, AdaBoost, XGBoost, and LightGBM, to develop the RA prediction model and feature selection based on feature importance. <bold>Results</bold>: The best RA prediction model was the LightGBM model with feature selection by AdaBoost algorithm and spectral pre-processing through logarithmic transformation and 2nd derivative. This model performed satisfactorily for practical screening with <italic>R</italic><sup><italic>2</italic></sup><sub><italic>p</italic></sub> = 0.81 and RMSEP = 3.92. The HSI images obtained using the developed model successfully estimated and visualized the RA distribution in basil plants growing in the greenhouse. <bold>Conclusions</bold>: Our findings demonstrate the potential use of a portable HSI system for monitoring and controlling pharmaceutical quality in medicinal plants during cultivation. This non-destructive and rapid method can provide a valuable tool for assessing the quality of RA in basil plants, thereby enhancing the efficiency and accuracy of quality control during the cultivation stage. Hyperspectral imaging ; Ocimum ; Basilicum ; Rosmarinic acid ; Artificial intelligence ; AdaBoost ; Feature selection ; Random forest ; Feature (linguistics) ; Computer science ; Machine learning ; Pattern recognition (psychology) ; Mathematics ; Algorithm ; Support vector machine ; Botany ; Biology Spectroscopy and Chemometric Analyses ; Essential Oils and Antimicrobial Activity ; Phytochemicals and Antioxidant Activities
Authors: Rushana Abdul'manova | A S Tyusenkov | D.E. Bugay
Source: Science intensive technologies in mechanical engineering (article, 2023-06-10)
Field: Materials Science — General Materials Science

The advantages of using 10X23H18 steel instead of Nickel 201 alloy for making pipes resistant to sodium hydroxide solutions In oxidizing environments, nickel and its alloys are prone to immunization and therefore the corrosion rate of equipment made of these materials is significantly reduced. Nickel and its alloys are widely used for the manufacture of equipment in contact with alkaline solutions. However, at high temperatures and high alkali flow rates, there is a possibility of contact wear of the metal surface of sodium hydroxide crystals due to the low hardness of nickel. Replacing nickel pipes with ones made of cheaper corrosion-resistant steels would solve the problem of rational design of equipment and pipelines of enterprises associated with the production of sodium hydroxide. The paper presents the results of comparative tests of corrosion resistance of 10X23H18 steel and Nickel 201 alloy in aqueous alkali caustic soda solutions of various concentrations. On a study basis, it can be concluded that the dissolution rate of 10X23H18 steel is significantly less than the dissolution rate of Nickel 201 alloy. It should be noted that with an increase in the concentration of solutions, the corrosion rate of steel gradually decreases, which is not the case for nickel-based alloy. Besides, judging from the results of hardness measurement, 10X23H18 steel can be distinguished due to its high resistance to abrasive wear. According to the scale of corrosion resistance, both materials are absolutely resistant. Since 10X23H18 steel has a lower cost compared to Nickel 201 alloy, it can be recommended substitutionally for the manufacture of the equipment operating in sodium hydroxide solutions at ambient conditions. Metallurgy ; Corrosion ; Nickel ; Materials science ; Alloy ; Sodium hydroxide ; Dissolution ; Hydroxide ; Alkali metal ; Oxidizing agent ; Inorganic chemistry ; Chemical engineering ; Chemistry Material Properties and Applications ; Engineering Diagnostics and Reliability ; Material Properties and Failure Mechanisms
Authors: Mital Patel
Source: Research Square (preprint, 2023-08-01)
Field: Chemistry — Analytical Chemistry

Advancing Quality and Environmental Responsibility: A Stability-Indicating LC Method Development for Lenvatinib through QbD and Green Chemistry Abstract A Quality by Design (QbD) technique that was systematic and analytical was utilized to create and confirm a novel and sensitive stability-indicating method of Lenvatinib via the HPLC method. To comply with ICH Q1(A) guidelines, a study was conducted to determine the degradation behavior of Lenvatinib under various environmental conditions. The QbD approach involved screening and optimization, which included using Placket Burman to assess primary parameters, and Response Surface Design (RSD) to optimize critical factors. The degradation was examined under different degradation conditions, including acidic, basic, oxidative, neutral, thermal, and photolytic, and was separated using a Shimadzu® C18 column (250 mm x 4.6 mm, particle size 5 µ). The mobile phase consisted of a concentration of Acetonitrile: 10 mM ammonium acetate having pH 3.5 (39:61, v/v) at a flow rate of 0.8 mL/min, 20 min run time, and 245 nm wavelength. The drug was particularly sensitive towards acidic and basic hydrolysis stress conditions, which generated a total of five degradant products that were successfully identified with the optimized LC-MS compatible analytical method. The optimized method was found to be sensitive, reproducible, specific, and robust, with a linearity range of 10 to 60 mg/mL and a correlation coefficient (R 2 = 0.9993). The greenness score of the analytical method was calculated, and it was observed that the developed method was environmentally friendly. Chemistry ; Ammonium acetate ; Chromatography ; Acetonitrile ; Degradation (telecommunications) ; Lenvatinib ; Correlation coefficient ; Environmentally friendly ; High-performance liquid chromatography ; Mathematics ; Computer science Analytical Methods in Pharmaceuticals ; Safe Handling of Antineoplastic Drugs ; Antibiotics Pharmacokinetics and Efficacy
Authors: Andriy Paliy | Elchyn Aliiev | Аnatoliy Paliy | Katerina Ishchenko | Ivan Rybalko | О. В. Павліченко | Mikola Prihodko | В’ячеслав Васильович Попсуй | Larisa Bondarchuk | Tetyana Chernyavskaya
Source: Eastern-European Journal of Enterprise Technologies (article, 2023-02-25)
Field: Materials Science — General Materials Science

Establishing changes in the parameters of teat rubber for milking machines during testing and under industrial conditions The teat rubber of milking machines is the only structural component of all milking and dairy equipment that is in contact with animals. During operation, the rubber article’s original quality characteristics are compromised. This is due to mechanical wear during operation. The task of the research is to establish changes in the parameters of the teat rubber of milking machines during testing and under industrial conditions. The object of research was the teat rubber of milking machines from various manufacturers, made of various composite materials. A scientific hypothesis put forward assumed that an increase in the efficiency of milking and dairy equipment could be achieved by establishing changes in the parameters of the teat rubber with subsequent maintenance planning. This would provide an opportunity to identify patterns and dependences that characterize these processes. In the course of research, theoretical dependences were derived to determine the operation of teat rubber in idle mode and the theoretical time of its operation. It was established that the theoretical wear period of the teat rubber is about 120–170 hours. It was determined that in the environment of SZHR-3, the coefficient of aging in terms of intensity was &gt;2 times higher compared to Skydrol LD-4. The volume under similar conditions of exposure of liquids on samples exceeded by more than 3 times. It is proved that the change in the mass of rubber under the influence of SZHR-3 exceeds more than 2.5 times the indicators obtained from the effects of Skydrol LD-4. It was established that during long-term operation the teat rubber undergoes changes in its physical and mechanical properties. Thus, hardness and elasticity increase, elasticity decreases due to the destruction of the internal structure of rubber due to the formation of microcracks, the vacuum of closing the walls increases. Knowledge of the quality characteristics of the teat rubber would make it possible to find the optimal solution for the choice of rubber articles Milking ; Natural rubber ; Industrial equipment ; Volume (thermodynamics) ; Intensity (physics) ; Process engineering ; Environmental science ; Pulp and paper industry ; Mathematics ; Materials science ; Computer science ; Agricultural engineering ; Mechanical engineering ; Engineering ; Composite material ; Animal science ; Physics ; Biology ; Thermodynamics Material Properties and Applications