jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Marco Ferroni | Francesco De Gaetano | Dario Gastaldi | Matteo Giuseppe Cereda | Federica Boschetti
Source: Materials (article, 2024-09-06)
Field: Materials Science — Biomaterials

Investigating Flow-Induced Corrosion of Magnesium in Ophthalmological Milieu Although the impact of local fluid dynamics in the biodegradation of magnesium is well known, currently no studies in the literature address the degradation effects of ocular vitreous on bioresorbable devices made of magnesium, which could be developed as drug delivery carriers. The aim of this study was to investigate the flow-induced corrosion mechanism of magnesium in an ophthalmological environment for future applications in ophthalmic drug delivery. To achieve this, experimental and computational methods were combined. Specifically, a CFD model was employed to design experimental conditions that replicate the ocular flow-induced shear stress (FISS) on manufactured magnesium samples. Pure Mg samples were tested in a bioreactor system capable of imposing the ocular CFD calculated values of FISS on the Mg samples' surface by varying the pump flow rate. Optimal flow rates for a range of different FISS values specific to the ophthalmological fluid dynamics affecting the device were indeed determined before running the experiments. After conducting customized corrosion tests, morphological observations and profilometric maps of the eroded surfaces of Mg samples were obtained using scanning electron microscopy (SEM) and confocal laser scanning microscopy (CLSM). These maps were then post-processed for the parametric evaluation of corrosion rates. Pre-existing localized superficial defects did affect the final corrosion pattern. SEM images and CLSM data confirmed a uniform corrosion mechanism, with corrosion rates of 1.9, 2.7, and 3.4 μm/day under different shear stress conditions (0, 0.01, and 0.032 Pa, respectively). More generally, uniform corrosion on pure Mg samples increased with higher FISS values, and at higher shear stress values (FISS = 0.032 Pa), a notable washing-out effect of the corrosion products was observed. The removal of corrosion products at higher shear stresses suggests that the dynamic ocular environment, influenced by saccadic movements, plays a significant role in the corrosion mechanism of pure magnesium. The corrosion rates determined in this study, in conjunction with clinical drug release requirements, are crucial for designing potential drug-release devices for ocular applications. Corrosion ; Materials science ; Scanning electron microscope ; Magnesium ; Simulated body fluid ; Shear stress ; Volumetric flow rate ; Flow conditions ; Magnesium alloy ; Composite material ; Metallurgy ; Flow (mathematics) Magnesium Alloys: Properties and Applications ; Vascular Malformations Diagnosis and Treatment ; Infectious Aortic and Vascular Conditions
Authors: Mateusz Bronis | Bartłomiej Krawczyk | Stanisław Legutko
Source: Processes (article, 2024-01-19)
Field: Materials Science — Materials Chemistry

Effect of Choice of Drilling Kinematic System on Cylindricity Deviation, Roundness Deviation, Diameter Error and Surface Roughness of Holes in Brass Alloy This article presents the results of an experimental study on the effect of the selection of kinematic system for the drilling process on the cylindricity deviation, roundness deviation, diameter error and surface roughness of holes in brass alloy. Three different kinematic systems based on the dependence of the direction of rotation of the workpiece and the drill bit were used. The drill bit was mounted in an axially driven holder that allowed it to be put into motion. Cutting tests were conducted at three different spindle speeds and three different feed rates per revolution (27 tests in total). A static ANOVA analysis was used to evaluate the effect of each input parameter on each output parameter. The results of this work have practical applications in machining. The following input parameters of the drilling process should be used to obtain the smallest values of each output parameter: for CYL, n = 4775 rpm, fn = 0.14 mm/rev and KIN III; for RON, n = 4775 rpm, fn = 0.1 or 0.12 mm/rev and KIN II; for DE, n = 3979 rpm, fn = 0.1 mm/rev and KIN I; and for Rz, n = 4775 rpm, fn = 0.1 mm/rev and KIN II. This research work also used Grey Relational Analysis with which input parameter optimization was derived. The optimal drilling parameters are spindle speeds of 4775 rpm, a feed per revolution of 0.1 mm/rev and the use of the first kinematic system. This paper also includes equations for predicting each parameter that describes the dimensional and shape accuracy and roughness of the hole surface. Using the first kinematic system reduced the roughness of the hole surface by as much as 58%. The correct selection of kinematic system improved its dimensional accuracy by 15%. On the other hand, the roundness deviation of the hole improved by 33% and the cylindricity deviation of the hole by 6%. Brass ; Roundness (object) ; Kinematics ; Drilling ; Surface roughness ; Machining ; Standard deviation ; Materials science ; Drill bit ; Surface finish ; Drill ; Mechanical engineering ; Mathematics ; Geometry ; Metallurgy ; Engineering ; Physics ; Composite material ; Statistics ; Classical mechanics ; Copper Metallurgy and Material Science ; Aluminum Alloy Microstructure Properties ; Advanced Machining and Optimization Techniques
Authors: Rudolf Naef | William E. Acree
Source: Liquids (article, 2024-03-01)
Field: Chemistry — Spectroscopy

Calculation of the Three Partition Coefficients logPow, logKoa and logKaw of Organic Molecules at Standard Conditions at Once by Means of a Generally Applicable Group-Additivity Method Assessment of the environmental impact of organic chemicals has become an important subject in chemical science. Efficient quantitative descriptors of their impact are their partition coefficients logPow, logKoa and logKaw. We present a group-additivity method that has proven its versatility for the reliable prediction of many other molecular descriptors for the calculation of the first two partition coefficients and indirectly of the third with high dependability. Based on the experimental logPow data of 3332 molecules and the experimental logKoa data of 1900 molecules at 298.15 K, the respective partition coefficients have been calculated with a cross-validated standard deviation S of only 0.42 and 0.48 log units and a goodness of fit Q2 of 0.9599 and 0.9717, respectively, in a range of ca. 17 log units for both descriptors. The third partition coefficient logKaw has been derived from the calculated values of the former two descriptors and compared with the experimentally determined logKaw value of 1937 molecules, yielding a standard deviation σ of 0.67 log units and a correlation coefficient R2 of 0.9467. This approach enabled the quick calculation of 29,462 logPow, 27,069 logKoa and 26,220 logKaw values for the more than 37,100 molecules of ChemBrain’s database available to the public. Additive function ; Partition coefficient ; Partition (number theory) ; Group (periodic table) ; Molecule ; Computational chemistry ; Mathematics ; Chemistry ; Thermodynamics ; Organic chemistry ; Mathematical analysis ; Physics ; Combinatorics Analytical Chemistry and Chromatography ; Chemical Thermodynamics and Molecular Structure ; Computational Drug Discovery Methods
Authors: Kanitsorn Boonrat | Pinyada Jaroenkunpanit | Phairote Wounchoum | Vasan Jantarachote | Pakamas Chetpattananondh | Kanadit Chetpattananondh
Source: ACS Omega (article, 2024-12-17)
Field: Chemistry — Electrochemistry

Feasibility Study of a Non-Contact Differentiation of Cannabidiol Concentrations Using Interdigital Electrodes This feasibility study presents a novel noncontact method for differentiating standard cannabidiol (CBD) concentrations using optimized interdigital electrodes. The electrode design, with a 100 mm<sup>2</sup> sensing area on a 64 mm × 77 mm FR-4 substrate, was improved through finite element analysis. Methanol-CBD solutions (25-1000 ppm) in 2 mL glass vials were analyzed using a vector network analyzer connected via a high-frequency SMA connector, focusing on scattering parameter (S-parameter) changes. The method demonstrated high effectiveness in CBD concentration differentiation, achieving a concentration resolution of 145 MHz/50 ppm based on resonant frequency shift, with an error of 0.17% of the reading, and 0.5 dB/50 ppm using S<sub>11</sub> amplitude measurement. The proposed method offers a promising, linear, and precise technique for noncontact CBD standard analysis, with potential applications in future research. In addition, impedance measurements can be applied to enhance concentration differentiation further. Cannabidiol ; Electrode ; Materials science ; Electrical impedance ; Substrate (aquarium) ; Cable gland ; Analytical Chemistry (journal) ; Acoustics ; Optoelectronics ; Computer science ; Chemistry ; Electrical engineering ; Chromatography ; Telecommunications ; Physics ; Engineering Electrochemical Analysis and Applications ; Electrochemical sensors and biosensors ; Cannabis and Cannabinoid Research
Authors: Ewa Stanisława Jonda | Dariusz Fydrych | Leszek Łatka | Hanna Myalska‐Głowacka
Source: Advances in Science and Technology – Research Journal (article, 2024-06-16)
Field: Materials Science — General Materials Science

The Use of Cluster Analysis to Assess the Wear Resistance of Cermet Coatings Sprayed by High Velocity Oxy-Fuel on Magnesium Alloy Substrate Cermet coatings are one of the best surface protection of machine elements against wear.On the other hand, the most universal and economically justified method of applying such coatings is high velocity oxy-fuel (HVOF) spraying.This method makes it possible to produce coatings characterized by compact structure, low porosity and very good adhesion to the substrate.All these fundamental properties contribute to the high wear resistance of these coatings.However, carrying out full wear tests (e.g.ball-on-disc) is time-consuming, especially when it is necessary to select the proper feedstock material and carefully selected process parameters.The aim of the following researches was to statistically investigate the possibility of replacing long-term wear resistance tests with estimation of this performance on the basis of determining the fundamental mechanical properties of the coatings.Three types of coating materials were selected: WC-12Co, WC-10Co-4Cr and WC-20Cr 3 C 2 -7Ni, which were deposited on AZ31 magnesium alloy substrates from three different spray distances: 320, 360 and 400 mm.On the basis of the tests carried out and using cluster analysis techniques (the Ward and k-means methods), the relative similarity between the obtained coatings was determined.The applied methodology allowed to select from the analyzed cermet coatings such samples that were characterized by improved resistance to abrasive wear.The obtained results of the analyzes were also referred to the results of tests of resistance to abrasive wear. Cermet ; Materials science ; Metallurgy ; Alloy ; Magnesium ; Wear resistance ; Magnesium alloy ; Substrate (aquarium) ; Cluster (spacecraft) ; Thermal spraying ; Composite material ; Ceramic ; Coating ; Computer science Material Properties and Applications ; Materials Engineering and Processing ; Surface Treatment and Coatings
Authors: Wenqiang Lu | Hao Sun | Wenjing Xuan | Yanyan Ding | Yougen Yi
Source: Coatings (article, 2024-04-13)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Temperature-Controlled and Adjustable Terahertz Device Based on Vanadium Dioxide We propose a simple multifunctional terahertz absorber based on the simulation. The device consists of a gold layer, a SiO2 dielectric layer, and a VO2 top layer. The modulation mechanism of this device is to utilize the thermally induced phase transition characteristics of vanadium dioxide material. The simulation results show that when the temperature is 312 K, the device has the effect of complete reflection of terahertz waves. When the temperature is 345 K, the device has almost perfect absorption of terahertz wave in the range of 4.7–9.7 THz, and the spectral absorptivity is modulated in the range of 0~0.999. The electric field conditions at different temperatures were plotted to further explain the reasons for the performance transition of the device. The terahertz device was explained using impedance matching theory. In addition, the influence of different structural parameters on absorption rate was studied, providing reference for practical applications. At the same time, the device is polarization-insensitive and insensitive to the incident angle. When the incident angle changes from 0°to 45°, the device still has a stable absorption effect. The device has great application prospects in terahertz stealth, modulation, and other fields and provides ideas for the design of related devices. Terahertz radiation ; Materials science ; Brewster's angle ; Absorption (acoustics) ; Optoelectronics ; Electric field ; Optics ; Impedance matching ; Polarization (electrochemistry) ; Molar absorptivity ; Dielectric ; Modulation (music) ; Vanadium dioxide ; Electrical impedance ; Nanotechnology ; Chemistry ; Thin film ; Physics ; Acoustics Metamaterials and Metasurfaces Applications ; Thermal Radiation and Cooling Technologies ; Plasmonic and Surface Plasmon Research
Authors: Michele Cristiane de Assis Alves | Thiago Alves da Silva | Olívia Alvina Oliveira Tonetti | Anderson Cleiton José | Paulo Ricardo Gherardi Hein | José Márcio Rocha Faria
Source: CERNE (article, 2024-01-01)
Field: Chemistry — Analytical Chemistry

Use of near infrared spectroscopy for estimating moisture content in Brazilian cherry (Eugenia uniflora L.) seeds submitted to dehydration Water content ; Dehydration ; Horticulture ; Sour cherry ; Recalcitrant seed ; Moisture ; Mathematics ; Botany ; Environmental science ; Forestry ; Geography ; Chemistry ; Biology ; Engineering ; Germination ; Cultivar Spectroscopy and Chemometric Analyses ; Agricultural and Food Sciences ; Food Drying and Modeling
Authors: Florinda Artuso | Claudio Ciceroni | Luca Fiorani | Isabella Giardina | M. Francucci | Antonia Lai | Ivano Menicucci | Marcello Nuvoli | Fabio Pollastrone
Source: Exploration of Foods and Foodomics (article, 2024-09-10)
Field: Chemistry — Analytical Chemistry

Exploring the potential of laser photoacoustic spectroscopy (LPAS) for predicting amylose content in rice flour Aim: Rice, one of the most widely consumed staple foods globally, relies on amylose content for its quality, impacting cooking, digestibility, and health properties. Conventional amylose determination methods are time-consuming and involve complex chemical treatments. Thus, there is growing interest in rapid, non-destructive techniques for food quality control. This study explores the potential of laser photoacoustic spectroscopy (LPAS) for predicting amylose content in rice flour. Methods: Certified rice flour standards of varying amylose levels have been analyzed using a quantum-cascade LPAS system. Preliminary analysis utilized Fourier transform infrared/attenuated total reflectance (FTIR/ATR) to identify rice starch spectral features in the IR region. Multivariate data tools like principal component analysis (PCA) and partial least squares (PLS) regression have been combined with LPAS measurements to extract information from the complex spectral data set and to demonstrate the ability of the system to predict their amylose content. Results: LPAS spectra, recorded between 7.0–11.0 μm, displayed two broad bands, showing a linear increase in signal with amylose content, especially notable in the specific fingerprint region within 8.5–10.0 μm. The prominent peak at 9.3 μm exhibited a high linear correlation with amylose levels (R2 &gt; 0.99). PCA effectively differentiated rice flour samples, while PLS accurately predicted amylose content. The difference between predicted and actual amylose is significantly less than the statistical error of the measurement. Conclusions: LPAS combined with chemometric analysis emerges as a promising non-destructive method for rapidly assessing rice amylose content, potentially supplementing or replacing current standard methods. Its advantages, limitations, and future prospects in rice quality analysis are discussed, highlighting its role in preliminary screening. Amylose ; Principal component analysis ; Partial least squares regression ; Food science ; Starch ; Chemistry ; Linear regression ; Biological system ; Mathematics ; Analytical Chemistry (journal) ; Statistics ; Chromatography ; Biology Spectroscopy and Chemometric Analyses ; Water Quality Monitoring and Analysis ; Geochemistry and Geologic Mapping
Authors: Ali RA Moursy | Moatez A. El-Sayed | Mohamed E. Fadl | Alaa Hashem Abdalazem
Source: Egyptian Journal of Soil Science (article, 2024-11-27)
Field: Chemistry — Analytical Chemistry

PRISMA-Driven Hyperspectral Analysis for characterization of Soil Salinity Patterns in Sohag, Egypt Soil salinization is a major environmental issue in Egypt's semi-arid region, characterized by low precipitations rate, high temperatures, and high evaporation rates, ultimately lowers agricultural sustainability. Consequently, effective soil salinity observation, evaluation and mapping are vital to mitigate the negative impacts of soil degradation and ensure sustainable land management. Therefore, this study focused on estimating and mapping soil salinity in semi-arid lands (Sohag Governorate, Egypt), using PRISMA (PRecursore IperSpettrale della Missione Applicativa) visible-Near-Infra-Red (vis-NIR) hyperspectral images as an advanced tool that offers significant promise for extracting detailed information about the composition and condition of the observed areas. For this study, seventeen representative soil profiles were collected in more than 150 cm depth from the field and subsequently analyzed in the lab to determine their EC (dS/m) values. Moreover, PRISMA hyperspectral image of the investigated area was acquired, processed, and some soil salinity hyperspectral indices were applied such as; Salinity Index (SI), Brightness Index (BI), Normalized Differential Salinity Index (NDSI), Combined Spectral Response Index (COSRI) and Coloration Index (CI). Among the PRISMA hyperspectral image, six bands were significant (12, 23, 25, 31, 32, and 49) and used for calculating the hyperspectral indices. Soil salinity spatial variability maps of the study area were generated using the relation between the developed hyperspectral indices and the observed soil salinity as EC values (dS/m). The study area demonstrated a relatively consistent level of salinity, with soil EC values ranging from 0.9 to 2.10 dS/m and averaging 1.40 dS/m, this moderate salinity, evident in the generated maps, suggests a relatively stable soil condition. The COSRI and CI hyperspectral salinity indices achieved the highest accuracy in estimating soil salinity (EC) with coefficient off determination (R2) values of 0.68 and 0.64 , respectively; and the root mean square error (RMSE) values were 0.26 and 0.29 dS/m, respectively. Other indices such as; normalized difference vegetation index (NDVI), NDSI, BI, and SI had lower capability for estimating soil salinity over the study area. The PRISMA hyperspectral data is a very potential tool for estimating soil salinity in the studied area, therefore, monitoring and analyzing soil salinity are essential for developing effective land management strategies. Hyperspectral imaging ; Environmental science ; Salinity ; Soil test ; Soil salinity ; Soil science ; Geology ; Remote sensing ; Soil water ; Oceanography Spectroscopy and Chemometric Analyses ; Geochemistry and Geologic Mapping
Authors: Lorenzo Parigi | Gabriele Candiani | Ignazio Gallo | Piero Toscano | Mirco Boschetti
Source: Annals of Computer Science and Information Systems (article, 2024-10-23)
Field: Chemistry — Analytical Chemistry

Towards crop traits estimation from hyperspectral data: evaluation of neural network models trained with real multi-site data or synthetic RTM simulations Hyperspectral images from newly launched (ASI-PRISMA and DLR-EnMAP) and future satellite (ESA-CHIME) are an opportunity, thanks to the high spectral resolution and full range continuity, to improve the retrieval of information about the crop parameters and status. The high dimensionality of hyperspectral data and the non-linear relationship between the crop biophysical parameters and their spectral signature make quantitative estimation of crop characteristics challenging, to address these problems we tested different configurations of neural networks (fully connected and convolutional). We tested the different architectures on two training dataset, one consists in ground data collected in three experiments, in different locations and seasons, the second one (hybrid) is composed by synthetic data generated using a radiative transfer model (PROSAIL-PRO). Preliminary results for LAI, CCC and CNC retrieval are encouraging in particular when ground data are exploited demonstrating of the potentiality of NN to fully exploit the information density of the hyperspectral data. Hyperspectral imaging ; Estimation ; Computer science ; Artificial neural network ; Data modeling ; Artificial intelligence ; Data mining ; Pattern recognition (psychology) ; Machine learning ; Engineering ; Database Spectroscopy and Chemometric Analyses ; Remote Sensing in Agriculture
Authors: Yi Wang | Shenshen Yan | Xi Wu | Jie Ren
Source: Frontiers of Physics (article, 2024-09-14)
Field: Materials Science — Materials Chemistry

Fast evaluating phonon life time and thermal conductivity determined by Gr&amp;#x00FC;neisen parameter and phase space size of three-phonon scattering Efficiently and fast seeking specific lattices with targeted phonon thermal conductivity κ L plays an important role in the thermal design and thermal management of materials. How to efficiently and accurately evaluate the phonon lifetime determined by anharmonicity becomes a critical bottleneck when high-throughput measuring κ L. Here, we propose a method of fast evaluating three-phonon scattering induced lifetime based on the many-body theory of phonon gas. In the high temperature limit, the phonon scattering rate is simply determined by the product of only two anharmonic parameters: the square of Grüneisen parameter and the phase space size of three-phonon scattering, both of which can be quickly derived from the harmonic phonon properties. We demonstrate the effectiveness of the method in high-throughput evaluating the κ L in first-principles calculation, which exhibits a good consistence with our collected experimental data. This method shows promising application potential in exploring material screening of the targeted κ L, which by improving the ability of characterizing phonon anharmonicity will further enhance the performance of κ L prediction. Phonon ; Thermal conductivity ; Condensed matter physics ; Phase (matter) ; Phonon scattering ; Grüneisen parameter ; Materials science ; Scattering ; Thermal ; Parameter space ; Physics ; Thermodynamics ; Optics ; Quantum mechanics ; Mathematics ; Statistics Thermal properties of materials