jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Luboš Běhálek | Jozef Dobránsky | Martin Pollák | Martin Borůvka | P. M. Brdlik
Source: Materials (article, 2021-01-24)
Field: Materials Science — Polymers and Plastics

Application of Physical Methods for the Detection of a Thermally Degraded Recycled Material in Plastic Parts Made of Polypropylene Copolymer The paper deals with the possibility of applying physical methods to detect a thermally degraded recycled material in plastic parts made of polypropylene. Standard methods of evaluating the mechanical properties of the material under static tensile and bending stress, as well as under dynamic impact stress using the Charpy method, were used for the experimental measurements. The rheological properties of materials were monitored using a method involving measuring the melt flow index, while their thermal properties and oxidative stability were monitored using differential scanning calorimetry. Based on the methods used, it can be clearly stated that the most suitable technique for detecting thermally degraded recycled material in polypropylene is the method involving establishing the melt flow index. The bending test seems to be the most suitable method for detecting recycled material by measuring the material's mechanical properties. Similarly to the melt volume flow rate (MVR) method, it was possible to unambiguously detect the presence of even a small amount of recycled material in the whole from measuring the material's bending properties. It is clear from the results that in the short term, there may be no change in the useful properties of the parts, but in the long term the presence of degraded recycled material will have adverse consequences on their lifespan. Materials science ; Polypropylene ; Melt flow index ; Charpy impact test ; Composite material ; Bending ; Ultimate tensile strength ; Material properties ; Rheology ; Differential scanning calorimetry ; Tensile testing ; Polymer ; Copolymer Polymer crystallization and properties ; Additive Manufacturing and 3D Printing Technologies ; Recycling and Waste Management Techniques
Authors: Enric Grau‐Luque | Fabien Atlan | Ignacio Becerril‐Romero | Alejandro Pérez‐Rodríguez | Maxim Guc | Víctor Izquierdo‐Roca
Source: The Journal of Open Source Software (article, 2021-11-19)
Field: Materials Science — Materials Chemistry

spectrapepper: A Python toolbox for advanced analysis of spectroscopic data for materials and devices. Grau-Luque et al., (2021). spectrapepper: A Python toolbox for advanced analysis of spectroscopic data for materials and devices.. Journal of Open Source Software, 6(67), 3781, https://doi.org/10.21105/joss.03781 Toolbox ; Python (programming language) ; Computer science ; Programming language ; Computer graphics (images) Machine Learning in Materials Science ; Spectroscopy Techniques in Biomedical and Chemical Research ; Gas Sensing Nanomaterials and Sensors
Authors: Antonia Tamborrino | Roberto Romaniello | Claudio Perone | Hazar Moujahed | Alessandro Leone
Source: Food and Bioprocess Technology (article, 2021-07-23)
Field: Chemistry — Organic Chemistry

Development of a Pressure Control System According to Paste Rheology for Ultrasound Processing in Industrial Olive Oil Extraction Abstract Recent research has demonstrated how ultrasound can benefit the industrial processing of olive paste before oil extraction. However, the absence of a device for controlling pressure inside the sonication cell is a major hindrance to its application. To address this problem, a pneumatic device with a programmable logic controller was implemented to automatically adjust pressure in the sonication cell according to a preset value: its functionality was tested in industrial oil extraction. An experiment was conducted to compare device performance when applied to olive batches with different solid/liquid ratios and differing rheology. The control system adjusted the flow section of the valve at the outlet of the sonication cell and the mass flow rate of the feed pump in order to maintain the pressure preset by the operator. Results indicate that the pressure was 3.0 ± 0.2 bar, 3.5 ± 0.2 bar, and 4.0 ± 0.2 bar when the set point was 3.0 bar, 3.5 bar, and 4.0 bar, respectively: there was thus no significant difference between controlled and set values. This indicates that the device is able to control pressure inside the sonication cell with a maximum deviation of 0.2 bar. In this case, the sonication intensity was stabilized at 135 W/cm 2 , 150 W/cm 2 , and 165 W/cm 2 at 3.0 bar, 3.5 bar, and 4.0 bar, respectively. This study presents an advancement in ultrasound applications for industrial olive oil extraction: optimal pressure control in the sonication cell. Sonication ; Bar (unit) ; Extraction (chemistry) ; Materials science ; Ultrasound ; Volumetric flow rate ; Chromatography ; Acoustics ; Chemistry ; Mechanics Edible Oils Quality and Analysis ; Spectroscopy and Chemometric Analyses ; Advanced Chemical Sensor Technologies
Authors: Chinnakannu Jayakumar | D.M. Reddy Prasad
Source: Indian Journal of Pharmaceutical Education and Research (article, 2021-11-09)
Field: Materials Science — Materials Chemistry

Thermodynamic Study on Hydrotropic Aggregation Behavior of Theophylline Objectives: A systematic study is required to enhance the solubility of insoluble fluid drugs that are only sparingly soluble. Hydrotropy may be a distinctive development to reinforce the liquid solubility of poorly water-soluble drugs. Materials and Methods: The term hydrotropic has been wont to designate the rise in the solubility of assorted substances in water because of the presence of enormous amounts of additives. Sodium salicylate, sodium benzoate, and resorcinol are utilized to reinforce the liquid solubility of many poorly soluble drugs. Varied organic solvents like methyl alcohol, chloroform, alcohol, dimethylformamide, and benzene are utilized for the solubilization of poorly soluble drugs. Theophylline drug was accessories to numerous hydrotrope concentrations (0-3 mol/L) and also the non-inheritable sample for a solubility determination was analyzed in an exploitation UV spectrophotometer. Results: The solubility of theophylline has been specifically found to improve with an increase in hydrotrope concentration and also with a device temperature likely to be close to that of other organic compounds and drugs. Solubility ; Chemistry ; Theophylline ; Alcohol ; Chloroform ; Chromatography ; Dimethylformamide ; Sodium salicylate ; Organic chemistry ; Solvent ; Pharmacology Crystallization and Solubility Studies ; Analytical Chemistry and Chromatography ; Surfactants and Colloidal Systems
Authors: Dongyu He | Xiujian Tang | Yuxin Liu | Jian Liu | Wenbo Du | Pengfei He | Haidou Wang
Source: Materials (article, 2021-08-09)
Field: Materials Science — Materials Chemistry

Phase Transition Effect on Ferroelectric Domain Surface Charge Dynamics in BaTiO3 Single Crystal The ferroelectric domain surface charge dynamics after a cubic-to-tetragonal phase transition on the BaTiO<sub>3</sub> single crystal (001) surface was directly measured through scanning probe microscopy. The captured surface potential distribution shows significant changes: the domain structures formed rapidly, but the surface potential on polarized <b><i>c</i></b> domain was unstable and reversed its sign after lengthy lapse; the high broad potential barrier burst at the corrugated <b><i>a-c</i></b> domain wall and continued to dissipate thereafter. The generation of polarization charges and the migration of surface screening charges in the surrounding environment take the main responsibility in the experiment. Furthermore, the <b><i>a</i></b><b>-<i>c</i></b> domain wall suffers large topological defects and polarity variation, resulting in domain wall broadening and stress changes. Thus, the <b><i>a-c</i></b> domain wall has excess energy and polarization change is inclined to assemble on it. The potential barrier decay with time after exposing to the surrounding environment also gave proof of the surface screening charge migration at surface. Thus, both domain and domain wall characteristics should be taken into account in ferroelectric application. Ferroelectricity ; Materials science ; Surface charge ; Tetragonal crystal system ; Polarization (electrochemistry) ; Phase transition ; Condensed matter physics ; Domain wall (magnetism) ; Chemical physics ; Optics ; Crystallography ; Crystal structure ; Chemistry ; Physics ; Dielectric ; Optoelectronics Ferroelectric and Piezoelectric Materials ; Electronic and Structural Properties of Oxides ; Multiferroics and related materials
Authors: Shrinidhi Adke | Karl Haro von Mogel | Yu Jiang | Changying Li
Source: Frontiers in Artificial Intelligence (article, 2021-01-29)
Field: Chemistry — Analytical Chemistry

Instance Segmentation to Estimate Consumption of Corn Ears by Wild Animals for GMO Preference Tests The Genetically Modified (GMO) Corn Experiment was performed to test the hypothesis that wild animals prefer Non-GMO corn and avoid eating GMO corn, which resulted in the collection of complex image data of consumed corn ears. This study develops a deep learning-based image processing pipeline that aims to estimate the consumption of corn by identifying corn and its bare cob from these images, which will aid in testing the hypothesis in the GMO Corn Experiment. Ablation uses mask regional convolutional neural network (Mask R-CNN) for instance segmentation. Based on image data annotation, two approaches for segmentation were discussed: identifying whole corn ears and bare cob parts with and without corn kernels. The Mask R-CNN model was trained for both approaches and segmentation results were compared. Out of the two, the latter approach, i.e., without the kernel, was chosen to estimate the corn consumption because of its superior segmentation performance and estimation accuracy. Ablation experiments were performed with the latter approach to obtain the best model with the available data. The estimation results of these models were included and compared with manually labeled test data with <i>R</i> <sup>2</sup> = 0.99 which showed that use of the Mask R-CNN model to estimate corn consumption provides highly accurate results, thus, allowing it to be used further on all collected data and help test the hypothesis of the GMO Corn Experiment. These approaches may also be applied to other plant phenotyping tasks (e.g., yield estimation and plant stress quantification) that require instance segmentation. Artificial intelligence ; Segmentation ; Convolutional neural network ; Pattern recognition (psychology) ; Computer science ; Statistics ; Mathematics Spectroscopy and Chemometric Analyses ; Smart Agriculture and AI ; Identification and Quantification in Food
Authors: Heitor Luiz Ornaghi | Felipe Gustavo Ornaghi | Roberta Motta Neves | Daniel Magalhães de Oliveira | Matheus Poletto
Source: Cellulose Chemistry and Technology (article, 2021-04-20)
Field: Materials Science — Polymers and Plastics

THERMAL DECOMPOSITION OF WOOD FIBERS: THERMAL SIMULATION USING THE F-TEST STATISTICAL TOOL "Wood biomass is an alternative for fossil fuels to produce bioenergy, due to its low cost, renewability and environmental friendliness. In order to use biomass as an energy source, understanding its thermal degradation behavior is highly recommended. This work focuses on the thermal degradation of wood fibers belonging to different species (Pinus elliotti (PIE), Eucalyptus grandis (EUG) and Mezilaurus itauba (ITA)), commonly used by the Brazilian lumber industry. The prediction of their degradation kinetics and overall thermal behavior was performed based on the most common theoretical data using the F-test statistical tool. The most probable degradation mechanism was found to be autocatalytic for all the wood fibers tested, with three different degradation steps. The results obtained were in accordance with the findings recently reported in the literature using other fitting methods. It was found that cellulose is the major contributor to Arrhenius parameters, while hemicelluloses – to reaction order." Cellulose ; Biomass (ecology) ; Pulp and paper industry ; Chemistry ; Degradation (telecommunications) ; Thermal decomposition ; Bioenergy ; Pyrolysis ; Thermal ; Fossil fuel ; Softwood ; Hemicellulose ; Composite material ; Biofuel ; Waste management ; Materials science ; Organic chemistry ; Thermodynamics ; Engineering ; Ecology Natural Fiber Reinforced Composites ; Thermochemical Biomass Conversion Processes ; Thermal and Kinetic Analysis
Authors: Zakia Gueboudji | Kenza Kadi | Kamel Nagaz
Source: European Journal of Science and Technology (article, 2021-10-20)
Field: Chemistry — Organic Chemistry

Evaluation Of The Anticoagulant Effect Of Phenolic Extracts Of Two Olive Mill By-products: Olive Mill Wastewater And Olive Mill Pomace In the Mediterranean basin, olive oil production represents an important economic sector for some countries. Currently, production is constantly growing and is done at the expense of the environment. In addition to its main product, which is virgin olive oil, it generates two by-products, olive mill pomace (OMP) and olive mill wastewater (OMW). These by-products have heretofore little economic value despite their large constitutions of polyphenols that are of great importance in the pharmaceutical industry. This study aimed to assess the anticoagulant effect of the phenolic extract of OMP and OMW from cold extraction in the region of Khenchela, northeastern Algeria. This activity was chosen for its essential role in the prevention and treatment of cardiovascular diseases and their serious complications, which threaten public health and constitute the leading cause of death worldwide. The extraction of the polyphenols was done by the maceration method. The content of total polyphenols was estimated by the Folin-Ciocalteu method. The amount of flavonoids was determined by the aluminum chloride method. The anticoagulant activity of the polyphenols was evaluated in vitro using the Kaolin-cephalin coagulation time (KCT) and prothrombin time (PT) tests. The coagulation times obtained in normal plasma in the presence of these polyphenols indicated that they exert a great anticoagulant activity. It was very highly significant on both endogenous and exogenous coagulation pathways for OMW extracts and significant for OMP extracts. This activity was observed more for the endogenous pathway of coagulation than the exogenous pathway. In conclusion, the polyphenols of olive oil pomace and olive mill wastewater can be used in the pharmaceutical field as an anticoagulant against the complications of thrombotic diseases. Pomace ; Polyphenol ; Olive oil ; Maceration (sewage) ; Food science ; Pulp and paper industry ; Chemistry ; Extraction (chemistry) ; Environmental science ; Chromatography ; Biochemistry ; Environmental engineering ; Antioxidant Edible Oils Quality and Analysis ; Phytochemicals and Antioxidant Activities ; Cholesterol and Lipid Metabolism
Authors: Yuhao Zhang | Boyan Wang | Ming Xiao | Joseph Spencer | Ruizhe Zhang | Jack Knoll | Christina DiMarino | Guo‐Quan Lu | Kohei Sasaki | Cyril Buttay
Source: ECS Transactions (article, 2021-10-01)
Field: Materials Science — Electronic, Optical and Magnetic Materials

(Invited) How to Achieve Low Thermal Resistance and High Electrothermal Ruggedness in Ga<sub>2</sub>O<sub>3</sub> Devices? International audience Thermal resistance ; Materials science ; Junction temperature ; Optoelectronics ; Schottky diode ; Electronics ; Power semiconductor device ; Thermal conductivity ; Electrical engineering ; Engineering physics ; Wide-bandgap semiconductor ; Thermal ; Power (physics) ; Diode ; Engineering ; Composite material Ga2O3 and related materials
Authors: Sneha Neupane | Vicente Boronat | Derek Splitter | William P. Partridge
Source: Applied Spectroscopy (article, 2021-02-05)
Field: Chemistry — Spectroscopy

An improved Method for Determining Transient Fuel Dilution of Oil in an Internal-Combustion Engine Using Laser-Induced Florescence and Multivariate Least Square Calibration An optical diagnostic, based on laser-induced fluorescence (LIF), has been developed for on-engine measurements of real-time fuel dilution of engine oil or fuel in oil (FIO). Fuel dilution of oil is broadly relevant to advancing engine technology including durability, calibration, and catalyst-system management, and believed to promote destructive stochastic pre-ignition (SPI) during high-load engine operations. While standard (e.g., ASTM D3524-90) methods are not capable of real-time transient measurements, the LIF technique resolves transient dilution on the minutes time scale. We have expanded on our original FIO instrument development by introducing an improved analysis based on multivariate least square chemometrics analysis. The measurement uses a fuel dye (180-1300 parts per million, by mass) and monitors for its presence in the oil using 532 nm excitation and LIF. While the original FIO instrument utilized a two-color ratio method for analysis, the improved chemometric analysis uses the fully resolved LIF dye spectra to provide better predictive FIO accuracy (>92%) over a wide FIO range (1.5-14%) typical of engine application. We also investigate the effect of oil temperature on the LIF signal. Limited engine applications for demonstrating and validating the improved FIO instrument are shown, and the related data used to quantify practical detection limit and sensitivity. The improved analysis is insensitive to laser power fluctuation and change in detector integration time, providing an excellent FIO sensitivity (1-2%) and detection limit (0.01 %FIO) over a wide range of loads and injection timings, illustrating this updated approach to be a promising tool for advancing engine technology. Calibration ; Combustion ; Ignition system ; Automotive engineering ; Transient (computer programming) ; Dilution ; Materials science ; Analytical Chemistry (journal) ; Computer science ; Chemistry ; Engineering ; Physics ; Chromatography Spectroscopy and Laser Applications ; Advanced Combustion Engine Technologies ; Spectroscopy and Chemometric Analyses
Authors: Darinka Brodnjak Vončina
Source: Nova Biotechnologica et Chimica (article, 2021-11-22)
Field: Chemistry — Analytical Chemistry

Chemometrics in analytical chemistry Chemometrics is a scientific discipline closely connected with statistics and mathematics. It has an important role in analytical chemistry. Modern analytical methods provide opportunity to collect large amounts of data for various samples. For handling analytical results different chemometric methods are employed, such as basic statistical methods for the determination of mean and median values, standard deviations, minimal and maximal values of measured parameters and their mutual correlation coefficients, the principal component analysis (PCA), cluster analysis (CA), and linear discriminant analysis (LDA). The objectives of chemometrics in analytical chemistry are focused on characterization and chemometrical classification of different samples. The quality of environmental samples such as water, sediment, soil, air samples etc. can be determined according to measured physical and chemical parameters, which represent the individual samples. Chemometric methods give information regarding measured parameters about similarity between sampling locations, sources of pollution, seasonal behavior and time trends. Monitoring of general pollution of environmental samples and following measuring parameters which are above permitted level given by legislation can be used for searching of pollution source and for planning&#x0D; prevention measures from pollution. Food samples can also be characterized by chemometrical methods. Chemometrics can be used for fast and efficient determination of food sample categories, such as edible oils, wines, fruits and fruit juices etc. Classification can also be performed according to the origin, source or season. From all these facts it is evident that the aim of chemometrics in analytical chemistry is high and extensive. Chemometrics ; Principal component analysis ; Chemistry ; Linear discriminant analysis ; Sampling (signal processing) ; Pollution ; Statistics ; Environmental chemistry ; Analytical Chemistry (journal) ; Mathematics ; Chromatography ; Computer science Spectroscopy and Chemometric Analyses ; Advanced Chemical Sensor Technologies ; Neural Networks and Applications
Authors: Zhen Su | Joshua Cantlon | Lacey Douthit | Max O. Wiedorn | Sébastien Boutet | Jan Kern | Chun Hong Yoon | Daniel P. DePonte
Source: Journal of Synchrotron Radiation (article, 2021-07-22)
Field: Materials Science — Materials Chemistry

Serial crystallography using automated drop dispensing Automated, pulsed liquid-phase sample delivery has the potential to greatly improve the efficiency of both sample and photon use at pulsed X-ray facilities. In this work, an automated drop on demand (DOD) system that accelerates sample exchange for serial femtosecond crystallography (SFX) is demonstrated. Four different protein crystal slurries were tested, and this technique is further improved here with an automatic sample-cycling system whose effectiveness was verified by the indexing results. Here, high-throughput SFX screening is shown to be possible at free-electron laser facilities with very low risk of cross contamination and minimal downtime. The development of this technique will significantly reduce sample consumption and enable structure determination of proteins that are difficult to crystallize in large quantities. This work also lays the foundation for automating sample delivery. Femtosecond ; Sample (material) ; Throughput ; Drop (telecommunication) ; Computer science ; Process engineering ; Sample preparation ; Downtime ; Materials science ; Laser ; Nanotechnology ; Chemistry ; Chromatography ; Optics ; Operating system Enzyme Structure and Function ; Advanced Electron Microscopy Techniques and Applications ; Advanced X-ray Imaging Techniques
Authors: Ping He | Kai‐Tai Fang | Cheng‐Jian Xu
Source: Journal of Data Science (article, 2021-07-21)
Field: Chemistry — Analytical Chemistry

The Classification Tree Combined with SIR and Its Applications to Classification of Mass Spectra Publisher: School of Statistics, Renmin University of China, Journal: Journal of Data Science, Title: The Classification Tree Combined with SIR and Its Applications to Classification of Mass Spectra, Authors: Ping He, Kai-Tai Fang, Cheng-Jian Xu Fang ; Mass spectrum ; Computer science ; Natural language processing ; Artificial intelligence ; Physics ; Mass spectrometry Spectroscopy and Chemometric Analyses ; Fault Detection and Control Systems