jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Esmaeil Mohammadian | Mina Dashti | Fleming Martínez | Abolghasem Jouyban
Source: BMC Chemistry (article, 2024-09-28)
Field: Materials Science — Materials Chemistry

Experimental measurement, thermodynamic analysis, and mathematical modeling for budesonide solubility in 1-propanol + water mixtures at T = (293.2 to 313.2) K Budesonide (BDS) a steroid-based anti-inflammatory drug widely prescribed for various diseases, has a low aqueous solubility. In this study, we investigated cosolvency approach to study the thermodynamic specifications related to the solubility of BDS at the temperature range of 293.2-313.2 K in (1-propanol + water) mixtures applying the shaking flask method. The predictive power of different mathematical models for experimental data in the cosolvency systems was evaluated. For this purpose, the linear and nonlinear mathematical equations such as van't Hoff model (as a linear model), Buchowski-Ksiazczak equation (as a non-linear), CNIBS/R-K and MRS models (as a linear model for solvent composition at an isothermal condition), modified Wilson model (as a non-linear model for isothermal condition), the Jouyban-Acree model (as a model that considers temperature and solvent composition), and Jouyban-Acree-van't Hoff model (as a model with no further input data) were studied. Also, the Williams-Amidon excess Gibbs energy model was investigated. In addition, the related apparent thermodynamics of the BDS dissolution process in the desired temperature such as Gibbs free energy, enthalpy, and entropy, were computed by the corresponding equations. Moreover, based on the inverse Kirkwood-Buff integrals, it is demonstrated that BDS is preferentially solvated by water in water-rich mixtures. The accuracy of the fitness was evaluated with mean relative deviations (MRDs%) for back-calculated molar BDS solubility data. The result showed that the maximum solubility of BDS was obtained at 0.7 mass fraction of 1-propanol at all temperatures. Thermodynamic studies demonstrated that BDS dissolution procedures were obtained as endothermic and entropy-driven in almost all cases. The overall MRDs% values for the back-computed BDS solubility in the aqueous mixture of 1-propanol based on van't Hoff model, Buchowski-Ksiazczak equation, CNIBS/R-K model, modified Wilson model, Jouyban-Acree model, Jouyban-Acree-van't Hoff model, MRS model, and Williams-Amidon excess Gibbs energy model were found 1.93%, 1.80%, 11.68%, 33.32%, 12.30%, 9.24%, 10.70%, and 6.57%, respectively. Budesonide ; Solubility ; Thermodynamics ; Propanol ; Chemistry ; Physical chemistry ; Organic chemistry ; Physics ; Medicine ; Methanol ; Corticosteroid ; Internal medicine Crystallization and Solubility Studies ; Chemical and Physical Properties in Aqueous Solutions ; Analytical Chemistry and Chromatography
Authors: Ankita Gupta
Source: EAI Endorsed Transactions on AI and Robotics (article, 2024-01-08)
Field: Chemistry — Analytical Chemistry

Improved Hybrid Preprocessing Technique for Effective Segmentation of Wheat Canopies in Chlorophyll Fluorescence Images Precision agriculture heavily relies on accurately segmenting wheat canopies from chlorophyll fluorescence (CHF) images. However, these images often face challenges due to inherent noise and illumination variations, primarily induced by the thermal activity of photons emitting a fluorescence effect. The unique nature of fluorescence introduces variations in illumination, especially during the crop's dark adaptation before experimentation. This adaptation aims to capture the full fluorescence effect, starting from minimum fluorescence and progressing to maximum fluorescence. In the initial stages of fluorescence, images tend to appear darker compared to those progressing towards maximum fluorescence. This variability necessitates the development of a sophisticated hybrid approach to eliminate noise and enhance contrast collaboratively, maximizing the benefits derived from CHF images. This paper introduces a novel hybrid preprocessing approach designed to address these challenges. The proposed method integrates five denoising techniques, namely Discrete Cosine Transform, Block Matching-3D, Low-Rank Matrix Approximation, Wiener Filtering, and Median Filtering, to mitigate the impact of noise in CHF images. Simultaneously, two enhancement techniques, Adaptive Histogram Specification and Gamma Correction, are employed to accentuate critical features, compensating for inherent variations in illumination during the fluorescence process. The hybrid preprocessing technique was proposed after analysing different combinations of denoising and enhancement techniques. Through qualitative and quantitative analysis of the results, it was observed that Block Matching-3D denoising with Gamma Correction produced the best output, with an Average PSNR of 0.54 and Average MSE of 0.07. This cascaded approach not only emphasizes noise reduction but also prioritizes the enhancement of crucial information within CHF images. By synergistically combining denoising and enhancement methods, the proposed approach optimizes the overall quality of the images, laying a foundation for improved wheat canopy segmentation. This research contributes a comprehensive and innovative solution to the challenges associated with CHF images in precision agriculture. The proposed hybrid approach holds promise for advancing the accuracy and reliability of wheat canopy segmentation, thereby enhancing the efficacy of precision agricultural practices. Noise reduction ; Computer science ; Noise (video) ; Artificial intelligence ; Chlorophyll fluorescence ; Pattern recognition (psychology) ; Preprocessor ; Wiener filter ; Computer vision ; Remote sensing ; Fluorescence ; Optics ; Image (mathematics) ; Geography ; Physics Spectroscopy and Chemometric Analyses ; Optical Coherence Tomography Applications ; Image Enhancement Techniques
Authors: Jie Wu | Zhen Wei | Zhengwei Chang | Man Zhang | Yumin Peng | Y.Z. Liu | Qi Huang
Source: Energies (article, 2024-04-03)
Field: Materials Science — Materials Chemistry

A Detection Method for Slight Inter-Turn Short-Circuit Fault in Dry-Type Air-Core Shunt Reactors Dry-type air-core shunt reactors are integral components in power transmission and distribution networks, designed to control reactive power and enhance system stability. However, inter-turn short-circuit faults (ISCFs) are common occurrences in shunt reactors, which are caused by various factors, including manufacturing defects, insulation degradation, or operational stresses. At the early stage of the ISCFs, the current does not reach a sufficient level to activate the protective equipment. These faults may lead to serious consequences, such as overheating, insulation breakdown, and even catastrophic failures, posing risks to the entire power system. Therefore, developing an effective and reliable detection method for ISCFs at the early stage is paramount. In this paper, a new method named the fault detection factor (FDF) based on equivalent resistance is presented to detect the slight ISCFs in dry-type air-core shunt reactors considering insulation resistance. In addition, the effect of noise signal existence in the monitoring process is taken into account. A moving average filter is adopted to guarantee both the sensitivity and the reliability of the proposed method. Ultimately, the simulation results of the FDF under different conditions are presented, which show the effectiveness and potential of the proposed method in observing and monitoring slight ISCFs. Turn (biochemistry) ; Shunt (medical) ; Short circuit ; Fault detection and isolation ; Core (optical fiber) ; Computer science ; Electrical engineering ; Engineering ; Physics ; Telecommunications ; Voltage ; Medicine ; Nuclear magnetic resonance ; Cardiology Graphite, nuclear technology, radiation studies ; Nuclear Materials and Properties
Authors: Andrew T. Rajczewski | J. Alfredo Blakeley‐Ruiz | Annaliese Meyer | Simina Vintila | Matthew R. McIlvin | Tim Van Den Bossche | Brian C. Searle | Timothy J. Griffin | Mak A. Saito | Manuel Kleiner | Pratik Jagtap
Source: bioRxiv (Cold Spring Harbor Laboratory) (preprint, 2024-09-22)
Field: Chemistry — Spectroscopy

Data-Independent Acquisition Mass Spectrometry as a Tool for Metaproteomics: Interlaboratory Comparison Using a Model Microbiome Mass spectrometry (MS)-based metaproteomics is used to identify and quantify proteins in microbiome samples, with the frequently used methodology being Data-Dependent Acquisition mass spectrometry (DDA-MS). However, DDA-MS is limited in its ability to reproducibly identify and quantify lower abundant peptides and proteins. To address DDA-MS deficiencies, proteomics researchers have started using Data-Independent Acquisition Mass Spectrometry (DIA-MS) for reproducible detection and quantification of peptides and proteins. We sought to evaluate the reproducibility and accuracy of DIA-MS metaproteomic measurements relative to DDA-MS using a mock community of known taxonomic composition. Artificial microbial communities of known composition were analyzed independently in three laboratories using DDA- and DIA-MS acquisition methods. DIA-MS yielded more protein and peptide identifications than DDA-MS in each laboratory. In addition, the protein and peptide identifications were more reproducible in all laboratories and provided an accurate quantification of proteins and taxonomic groups in the samples. We also identified some limitations of current DIA tools when applied to metaproteomic data, highlighting specific needs to improve DIA tools enabling analysis of metaproteomic datasets from complex microbiomes. Ultimately, DIA-MS represents a promising strategy for MS-based metaproteomics due to its large number of detected proteins and peptides, reproducibility, deep sequencing capabilities, and accurate quantitation. Metaproteomics ; Microbiome ; Computational biology ; Mass spectrometry ; Chromatography ; Metagenomics ; Computer science ; Chemistry ; Biology ; Bioinformatics ; Biochemistry Advanced Proteomics Techniques and Applications ; Mass Spectrometry Techniques and Applications ; Metabolomics and Mass Spectrometry Studies
Authors: Yixiao Chen | Chongyang Shen | Qingyuan Li | Jianyao Li | Xiaoxu Deng
Source: Nanomaterials (article, 2024-02-08)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Dual-Band All-Optical Logic Gates by Coherent Absorption in an Amorphous Silicon Graphene Metasurface The dual-band polarization-independent all-optical logic gate by coherent absorption effect in an amorphous silicon (a-Si) graphene metasurface is investigated theoretically and numerically. Taking the substrate effect into consideration, the coherent perfect absorption condition of the a-Si graphene metasurface is derived on the basis of the Cartesian multipole method. The coherent nearly perfect absorption of the a-Si graphene metasurface is realized by the interference of multipole moments and the interband transition of monolayer graphene, achieving peak values of 91% and 92% at 894.5 nm and 991.5 nm, respectively. The polarization independence of the coherent absorption is revealed due to the center symmetry of the structure of the a-Si graphene metasurface. The dual-band polarization-independent all-optical XOR and OR logic gates are implemented at 894.5 nm and 991.5 nm by the a-Si graphene metasurface based on the coherent nearly perfect absorption, which has the opportunity to be utilized in all-optical computing, all-optical data processing, and future all-optical networks. Graphene ; Materials science ; Multipole expansion ; Optoelectronics ; Polarization (electrochemistry) ; Optics ; Absorption (acoustics) ; Silicon ; Amorphous solid ; Physics ; Nanotechnology ; Chemistry ; Quantum mechanics Metamaterials and Metasurfaces Applications ; Plasmonic and Surface Plasmon Research ; Photonic Crystals and Applications
Authors: Yongshun Xia | Xiaokuo Yang | Shu-Qing Dou | Huanqing Cui | Bo Wei | Bujia Liang | Xu Yan
Source: AIP Advances (article, 2024-04-01)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Magnetization switching and performance of an optimized bicomponent multiferroic nanomagnet Achieving complete magnetization switching is a significant challenge in the electrical control of magnetic devices. In this paper, we propose a structure called bicomponent multiferroic nanomagnet (BMN) to study strain-mediated magnetization switching behavior. The BMN consists of a complete piezoelectric layer and a magnetostrictive layer made of bicomponent magnetic materials. Our team successfully developed a dynamic model for the magnetization of BMNs. By micromagnetic simulation, the results show that the strict requirements for a precise applied voltage period can be overcome in such a BMN, and a 180° magnetization switching can be achieved with only a square-wave voltage signal and a pulse width (tth) larger than 0.5 ns, given that the amplitude of the voltage is 60 mV. In addition, we also investigated the tolerance window of material composition and geometry, and proved that BMNs have sufficient error margins and the switching rate of BMNs can reach 1.67 GHz within the error margins at room temperature. Our proposed BMN device has a simple structure and low energy consumption as it does not require precise piezoelectric layer design or stringent voltage clocking requirements. The energy consumption per switching is only 7.3 aJ. These findings provide significant guidance for the design of nanomagnetic logic and memory devices and lay a strong foundation for the application of strain-mediated magnetization switching technology. Nanomagnet ; Magnetization ; Magnetostriction ; Materials science ; Voltage ; Piezoelectricity ; Multiferroics ; Condensed matter physics ; Hysteresis ; Switching time ; Electrical engineering ; Optoelectronics ; Physics ; Magnetic field ; Composite material ; Engineering ; Ferroelectricity Multiferroics and related materials ; Magnetic properties of thin films ; ZnO doping and properties
Authors: Alon Tzroya | Hamootal Duadi | Dror Fixler
Source: ACS Omega (article, 2024-02-05)
Field: Chemistry — Electrochemistry

Optical Method for Detection and Classification of Heavy Metal Contaminants in Water Using Iso-pathlength Point Characterization Water pollution caused by hazardous substances, particularly heavy metal (HM) ions, poses a threat to human health and the environment. Traditional methods for measuring HM in water are expensive and time-consuming and require extensive sample preparation. Therefore, developing robust, simple, and sensitive techniques for the detection and classification of HM is needed. We propose an optical approach that exploits the full scattering profile, meaning the angular intensity distribution, and utilizes the iso-pathlength (IPL) point. This point appears where the intensity is constant for different scattering coefficients, while the absorption coefficient is set. The absorption does not affect the IPL point position, it only reduces its intensity. In this paper, we explore the wavelength influence on the IPL point both in Monte Carlo simulations and experimentally. Next, we present the characterization of ferric chloride (FeCl<sub>2</sub>) by this phenomenon. Eventually, we exhibit the detection of FeCl<sub>2</sub> and intralipid mixed in concentrations of 50-100 and 20-30 ppm, respectively. These findings endorse the idea that the IPL point is an intrinsic parameter of a system serving as an absolute calibration point. The method provides an efficient way of differentiating contamination in water. Its characterization technique is easy, precise, and versatile making it preferable for water monitoring. Characterization (materials science) ; Intensity (physics) ; Calibration ; Absorption (acoustics) ; Monte Carlo method ; Attenuation coefficient ; Chemistry ; Environmental science ; Biological system ; Analytical Chemistry (journal) ; Materials science ; Optics ; Environmental chemistry ; Nanotechnology ; Physics ; Statistics ; Mathematics Electrochemical Analysis and Applications ; Analytical Chemistry and Sensors ; Advanced Chemical Sensor Technologies
Authors: Simona Vasile | Séverine Vermeire | Katrien Vandepitte | Veronique Troch | Alexandra De Raeve
Source: Materials (article, 2024-04-03)
Field: Materials Science — Polymers and Plastics

Effect of Weave and Weft Type on Mechanical and Comfort Properties of Hemp–Linen Fabrics In this study the influence of fabric weave (plain, twill, and panama) and weft type (flax and hemp yarns) on selected mechanical and comfort properties of six fabrics was analyzed. The results showed that tear and abrasion properties were most affected by the weave. The tensile properties of the linen fabrics were not significantly different when weft hemp yarns were used instead of flax. Fabrics with the same weave seemed to be equally resilient to abrasion regardless of the type of weft. By contrast, the hemp weft yarns favorized the physical and comfort properties of the investigated fabrics. For the same weave, the hemp-linen fabrics were slightly lighter and exhibited lower bulk density, significantly larger air permeability, and improved moisture management properties. Although the results of maximum thermal flux (Qmax) suggested a cooler sensation of the linen fabrics with panama and twill, the hemp-linen fabric with a plain weave seemed to be the optimal choice when a cool sensation was desired. Higher thermal conductivity values also suggested slightly better heat transfer properties of the hemp-linen fabrics, and these were significantly influenced by the weave type. The results clearly indicated the advantages of using hemp for improving physical and specific comfort properties of linen fabrics. Plain weave ; Composite material ; Air permeability specific surface ; Materials science ; Abrasion (mechanical) ; Ultimate tensile strength ; Fabric structure ; Woven fabric ; Yarn Textile materials and evaluations ; Natural Fiber Reinforced Composites ; Tree Root and Stability Studies
Authors: Hafsa Jamshaid | Rajesh Mishra | Naseer Ahamad | Vijay Chandan | Muhammad Nadeem | Viktor Kolář | Petr Jirků | Miroslav Müller | Tegginamath Akshat | Shabnam Nazari | Tatiana Ivanova
Source: Heliyon (article, 2024-02-01)
Field: Materials Science — Polymers and Plastics

Impact of construction parameters on ergonomic and thermo-physiological comfort performance of knitted occupational compression stocking materials This work investigates the effect of varying the knitting structure and stitch length (SL) on various thermo-physiological and ergonomic comfort properties of the occupational graduated compression socks. Thermo-physiological comfort, ergonomic comfort and dimensional stability of theses stockings were analysed in a comparative manner. Obtained results were evaluated statistically using the technique of analysis of variance (ANOVA). A Fisher's multiple comparison test was commissioned to analyze the relationship between the alteration of stitch length (SL) on various utility functions and properties desired in the occupational compression socks. In order to examine whether the difference of stitch length is significant, p values were determined. Further the influence of knitting structures e.g., plain, 2 × 2 Rib and 1 × 3 Rib was analysed on the selected properties. The interactive effect of both stitch length (SL) and knitting structure was studied using statistical techniques. It was concluded that knitting structure has a stronger impact on thermo-physiological and ergonomic comfort properties. Results showed a significant variation in thermo-physiological and ergonomic comfort by altering stitch length by means of the statistical analysis. An innovative approach for the manufacturers has been developed for optimizing performance in compression stockings. The construction of the compression socks can thus be optimized in terms of constructional parameters to provide optimum comfort to the users. Stocking ; Compression (physics) ; Engineering ; Construction engineering ; Materials science ; Composite material ; Fishery Textile materials and evaluations ; Ergonomics and Musculoskeletal Disorders ; Effects of Vibration on Health
Authors: Mio Iwasaki | Rika Nishimura | Tatsuya Yamakawa | Yousuke Miyamoto | Tsuyoshi Tabata | Megumi Narita
Source: Cells (article, 2024-11-07)
Field: Chemistry — Spectroscopy

Differences in Uniquely Identified Peptides Between ddaPASEF and diaPASEF Recent advancements in mass spectrometry-based proteomics have made it possible to conduct comprehensive protein analysis. In particular, the emergence of the data-independent acquisition (DIA) method powered by machine learning has significantly improved protein identification efficiency. However, compared with the conventional data-dependent acquisition (DDA) method, the degree to which peptides are uniquely identified by DIA and DDA has not been thoroughly examined. In this study, we identified over 10,000 proteins using the DDA and DIA methods and analyzed the characteristics of unique peptides identified by each method. Results showed that the number of peptides uniquely identified by DDA and DIA using the same column type was 19% and 32%, respectively, with shorter peptides preferentially detected by the DIA method. In addition, more DIA-specific peptides were identified, especially during the first 10% of elution time, and the overall 1/<i>K</i><sub>0</sub> and <i>m</i>/<i>z</i> shifted toward smaller values than in the DDA method. Furthermore, comparing the phosphorylation and ubiquitination proteome profiles with those of whole-cell lysates by DDA showed that the enrichment of post-translationally modified peptides resulted in wider <i>m</i>/<i>z</i> and 1/<i>K</i><sub>0</sub> ranges. Notably, the ubiquitin peptide-enriched samples displayed lower <i>m</i>/<i>z</i> values than the phospho-proteome. These findings suggest a bias in the types of peptides identified by the acquisition method and the importance of setting appropriate ranges for DIA based on the post-translational modification of peptide characteristics. Proteomics ; Mass spectrometry ; Peptide ; Computational biology ; Elution ; Identification (biology) ; Chromatography ; Chemistry ; Computer science ; Biology ; Biochemistry Advanced Proteomics Techniques and Applications ; Mass Spectrometry Techniques and Applications ; Metabolomics and Mass Spectrometry Studies