jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Maksudul Alam | Tsz-Ho Kwok
Source: Structural and Multidisciplinary Optimization (article, 2024-07-30)
Field: Materials Science — Polymers and Plastics

Multidisciplinary optimization of shoe midsole structures using swarm intelligence Swarm behaviour ; Computer science ; Swarm intelligence ; Simulated annealing ; Engineering ; Artificial intelligence ; Simulation ; Machine learning ; Particle swarm optimization Textile materials and evaluations ; Music Technology and Sound Studies ; Lower Extremity Biomechanics and Pathologies
Authors: Yu Ding | Yufeng Wang | Jing Chen | Wen‐Jie Chen | Ao Hu | Yan Shu | Meiling Zhao
Source: Photonics (article, 2024-01-30)
Field: Chemistry — Analytical Chemistry

Substrate-Assisted Laser-Induced Breakdown Spectroscopy Combined with Variable Selection and Extreme Learning Machine for Quantitative Determination of Fenthion in Soybean Oil The quality and safety of edible vegetable oils are closely related to human life and health, meaning it is of great significance to explore the rapid detection methods of pesticide residues in edible vegetable oils. This study explored the applicability potential of substrate-assisted laser-induced breakdown spectroscopy (LIBS) for quantitatively determining fenthion in soybean oils. First, we explored the impact of laser energy, delay time, and average oil film thickness on the spectral signals to identify the best experimental parameters. Afterward, we quantitatively analyzed soybean oil samples using these optimized conditions and developed a full-spectrum extreme learning machine (ELM) model. The model achieved a prediction correlation coefficient (RP2) of 0.8417, a root mean square error of prediction (RMSEP) of 167.2986, and a mean absolute percentage error of prediction (MAPEP) of 26.46%. In order to enhance the prediction performance of the model, a modeling method using the Boruta algorithm combined with the ELM was proposed. The Boruta algorithm was employed to identify the feature variables that exhibit a strong correlation with the fenthion content. These selected variables were utilized as inputs for the ELM model, with the RP2, RMSEP, and MAPEP of Boruta-ELM being 0.9631, 71.4423, and 10.06%, respectively. Then, the genetic algorithm (GA) was used to optimize the parameters of the Boruta-ELM model, with the RP2, RMSEP, and MAPEP of GA-Boruta-ELM being 0.9962, 11.005, and 1.66%, respectively. The findings demonstrate that the GA-Boruta-ELM model exhibits excellent prediction capability and effectively predicts the fenthion contents in soybean oil samples. It will be valuable for the LIBS quantitative detection and analysis of pesticide residues in edible vegetable oils. Substrate (aquarium) ; Spectroscopy ; Feature selection ; Selection (genetic algorithm) ; Materials science ; Fenthion ; Optoelectronics ; Biological system ; Analytical Chemistry (journal) ; Nanotechnology ; Computer science ; Chemistry ; Machine learning ; Chromatography ; Physics ; Pesticide ; Biology Spectroscopy and Chemometric Analyses ; Pesticide Residue Analysis and Safety ; Laser-induced spectroscopy and plasma
Authors: Anas Ait Talaoul | Mustapha Assarar | Wajdi Zouari | Rézak Ayad | Brahim Mazian | Karim Behlouli
Source: Journal of Composites Science (article, 2024-12-17)
Field: Materials Science — Polymers and Plastics

Investigation of the Flexural Behavior and Damage Mechanisms of Flax/Cork Sandwich Panels Manufactured by Liquid Thermoplastic Resin This study investigates the flexural behavior of three sandwich panels composed of an agglomerated cork core and skins made up of cross-ply [0,90]2 flax or glass layers with areal densities of 100 and 300 g/m2. They are designated by SF100, SF300, and SG300, where S, F, and G stand for sandwich material, flax fiber, and glass fiber, respectively. The three sandwich materials were fabricated in a single step using vacuum infusion with the liquid thermoplastic resin Elium®. Specimens of these sandwich materials were subjected to three-point bending tests at five span lengths (80, 100, 150, 200, and 250 mm). Each specimen was equipped with two piezoelectric sensors to record acoustic activity during the bending, facilitating the identification of the main damage mechanisms leading to flexural failure. The acoustic signals were analyzed to first track the initiation and propagation of damage and, second, to correlate these signals with the mechanical behavior of the sandwich materials. The obtained results indicate that SF300 exhibits 60% and 49% higher flexural and shear stiffness, respectively, than SG300. Moreover, a comparison of the specific mechanical properties reveals that SF300 offers the best compromise in terms of the flexural properties. Moreover, the acoustic emission (AE) analysis allowed the identification of the main damage mechanisms, including matrix cracking, fiber failure, fiber/matrix, and core/skin debonding, as well as their chronology during the flexural tests. Three-dimensional micro-tomography reconstructions and scanning electron microscope (SEM) observations were performed to confirm the identified damage mechanisms. Finally, a correlation between these observations and the AE signals is proposed to classify the damage mechanisms according to their corresponding amplitude ranges. Cork ; Composite material ; Thermoplastic ; Materials science ; Flexural strength Natural Fiber Reinforced Composites ; Textile materials and evaluations ; Additive Manufacturing and 3D Printing Technologies
Authors: Barbara Błasiak | David MacDonald | K Jasiński | Fong‐Yu Cheng | Bogusław Tomanek
Source: International Journal of Molecular Sciences (article, 2024-09-26)
Field: Materials Science — Materials Chemistry

Application of H2N-Fe3O4 Nanoparticles for Prostate Cancer Magnetic Resonance Imaging in an Animal Model This paper presents the efficacy of a contrast agent based on H<sub>2</sub>N-Fe<sub>3</sub>O<sub>4</sub> nanoparticles for the detection of prostate cancer in an animal model using a preclinical 9.4 T MRI system. The relaxivities r<sub>1</sub> and r<sub>2</sub> of the nanoparticles were 6.31 mM<sup>-1</sup>s<sup>-1</sup> and 8.33 mM<sup>-1</sup>s<sup>-1</sup>, respectively. Nanoparticles injected in a concentration of 2 mg Fe/mL decreased the tumor-relative T<sub>1</sub> relaxation across all animals from 100 to 76 ± 26, 85 ± 27, 89 ± 20, and 97 ± 16 12 min 1 h, 2 h, and 24 h post injection, respectively. The corresponding T<sub>1</sub> decrease in muscle tissues was 90 ± 20, 94 ± 23, 99 ± 12, and 99 ± 14. The relative T<sub>2</sub> changes in the tumor were 82 ± 17, 89 ± 19, 97 ± 14, and 99 ± 8 12 min, 1 h, 2 h, and 24 h post injection, respectively, while, for muscle tissues, these values were 95 ± 11, 95 ± 8, 97 ± 6, and 95 ± 10 at the corresponding time points. The differences in the relative T<sub>1</sub> and T<sub>2</sub> were only significant 12 min after injection (<i>p</i> < 0.05), although a decrease was visible at each time point, but it was statistically insignificant (<i>p</i> > 0.05). The results showed the potential application of H<sub>2</sub>N-Fe<sub>3</sub>O<sub>4</sub> nanoparticles as contrast agents for enhanced prostate cancer MRI. Prostate cancer ; Magnetic resonance imaging ; Prostate ; Nanoparticle ; Chemistry ; Animal model ; Nuclear medicine ; Cancer ; Nuclear magnetic resonance ; Medicine ; Urology ; Materials science ; Endocrinology ; Internal medicine ; Nanotechnology ; Radiology Lanthanide and Transition Metal Complexes ; MRI in cancer diagnosis ; Advanced MRI Techniques and Applications
Authors: Zanzhong Zhao | Guiping Liao
Source: Mathematics (article, 2024-05-29)
Field: Chemistry — Analytical Chemistry

Imaging Hyperspectral Feature Fusion for Estimation of Rapeseed Pod’s Water Content and Recognition of Pod’s Maturity Level Imaging hyperspectral technology is becoming popular in agriculture to provide detailed information on crop growth. In this work, we propose an estimation of rapeseed pod’s water content model and identification of maturity levels (green, yellow, and full) model by using this technology. Four types of hyperspectral features are extracted—color, texture, spectral three-edge parameters, and spectral indices. By integrating these features, satisfactory results are achieved: the optimal feature combination is from spectral indices and three-edge parameters, with low RRMSE and RE for yellow maturity. Incorporating spectral indices significantly improved the pod’s water content estimation, reducing RRMSE by up to 43.30% and 30.11% in the green and full maturity stages. Random forest and support vector machine with kernel method (SVM-KM) algorithms outperformed other statistical models, with SVM-KM achieving up to 96.90% accuracy in identifying maturity levels. These findings provide valuable insights for managing rapeseed production during the pod stage. Point of delivery ; Hyperspectral imaging ; Rapeseed ; Maturity (psychological) ; Feature (linguistics) ; Mathematics ; Artificial intelligence ; Pattern recognition (psychology) ; Computer science ; Horticulture ; Agronomy ; Biology ; Psychology ; Linguistics Spectroscopy and Chemometric Analyses
Authors: Nekesa C. Oliver | Min Ji Choi | Albert B. Arul | Marsalas D. Whitaker | Renã A. S. Robinson
Source: ACS Measurement Science Au (article, 2024-04-29)
Field: Chemistry — Spectroscopy

Establishing Quality Control Metrics for Large-Scale Plasma Proteomic Sample Preparation Large-scale plasma proteomics studies have been transformed due to the multiplexing and automation of sample preparation workflows. However, these workflows can suffer from reproducibility issues, a lack of standardized quality control (QC) metrics, and the assessment of variation before liquid chromatography-tandem mass spectrometry (LC-MS/MS) analysis. The incorporation of robust QC metrics in sample preparation workflows ensures better reproducibility, lower assay variation, and better-informed decisions for troubleshooting. Our laboratory conducted a plasma proteomics study of a cohort of patient samples (<i>N</i> = 808) using tandem mass tag (TMT) 16-plex batches (<i>N</i> = 58). The proteomic workflow consisted of protein depletion, protein digestion, TMT labeling, and fractionation. Five QC sample types (QC<sub>std</sub>, QC<sub>dig</sub>, QC<sub>pool</sub>, QC<sub>TMT</sub>, and QC<sub>BSA</sub>) were created to measure the performance of sample preparation prior to the final LC-MS/MS analysis. We measured <10% CV for individual sample preparation steps in the proteomic workflow based on data from various QC sample steps. The establishment of robust measures for QC of sample preparation steps allowed for greater confidence in prepared samples for subsequent LC-MS/MS analysis. This study also provides recommendations for standardized QC metrics that can assist with future large-scale cohort sample preparation workflows. Scale (ratio) ; Sample (material) ; Sample preparation ; Quality (philosophy) ; Control (management) ; Computer science ; Chromatography ; Chemistry ; Geography ; Artificial intelligence ; Cartography ; Physics Advanced Proteomics Techniques and Applications ; Mass Spectrometry Techniques and Applications ; Protein purification and stability
Authors: Yuan Wu | Marianne Perrin | Marie‐Laetitia Pastor | Pascal Casari | Xiaojing Gong
Source: Materials (article, 2024-02-24)
Field: Materials Science — Polymers and Plastics

Moisture Effects on Acoustic Emission Characteristics and Damage Mechanisms of Balsa Wood Core Composite Sandwich under 4-Point Bending To contribute to the development of sustainable composites, this work investigates the effects of moisture on the key AE characteristics related to the damage mechanisms of a bio-based balsa wood core sandwich in 4-point bending tests, including cumulative counts, amplitude, peak frequency, and duration. Novel triple dog-bone balsa wood core sandwich specimens with different MC (moisture content) were studied by comparing microscopic observations and a proposed two-step clustering approach in AE analysis. Three MC states, i.e., dry, 50% MC, and 120% MC, are discussed. GFRP (glass-fiber-reinforced polymer) laminate skin damages were found to be predominant in most GFRP-balsa sandwich specimens, but balsa wood core damages play a more important role as MC increases. The degradation of the bending stiffness of the sandwich was proven to be faster in the first linear stage of the moisture absorption curve, while the decrease in bending strength was more pronounced at the MC saturation level. Finally, for all of the dry and wet sandwich specimens, peak frequency and duration were proven to be more helpful in identifying damages associated with the lighter bio-based balsa wood core, such as balsa core damages and skin/core debonding. Acoustic emission ; Composite material ; Materials science ; Core (optical fiber) ; Composite number ; Bending ; Three point flexural test ; Moisture ; Sandwich-structured composite ; Structural engineering ; Engineering Natural Fiber Reinforced Composites ; Mechanical Behavior of Composites ; Cellular and Composite Structures
Authors: Erfan Khoram | Zongfu Yu | S. Ali Hassani Gangaraj
Source: ACS Omega (article, 2024-05-28)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Adjoint-Optimized Large Dielectric Metasurface for Enhanced Purcell Factor and Directional Photon Emission Extracting photons efficiently from quantum sources, such as atoms, molecules, and quantum dots, is crucial for various nanophotonic systems used in quantum communication, sensing, and computation. To improve the performance of these systems, it is not only necessary to provide an environment that maximizes the number of optical modes, but it is also desirable to guide the extracted light toward specific directions. One way to achieve this goal is to use a large area metasurface that can steer the beam. Previous work has used small aperture devices that are fundamentally limited in their ability to achieve high directivity. This work proposes an adjoint-based topology optimization approach to design a large light extractor that can enhance the spontaneous decay rate of the embedded quantum transition and collimate the extracted photons. With the help of this approach, we present all-dielectric metasurfaces for a quantum transition emitting at λ = 600 nm. These metasurfaces achieve a broadband improvement of spontaneous emission compared to that in the vacuum, reaching a 10× enhancement at the design frequency. Furthermore, they can beam the extracted light into a narrow cone (±10°) along a desired direction that is predefined through their respective design process. Dielectric ; Photon ; Physics ; Optics ; Purcell effect ; Factor (programming language) ; Materials science ; Optoelectronics ; Spontaneous emission ; Computer science Metamaterials and Metasurfaces Applications ; Advanced Antenna and Metasurface Technologies ; Plasmonic and Surface Plasmon Research
Authors: 吴冉 Wu Ran | 马宗民 Ma Zongmin | 黄伟 Huang Wei
Source: Acta Optica Sinica (article, 2024-01-01)
Field: Materials Science — Electronic, Optical and Magnetic Materials

长波红外宽角超透镜阵列的设计与制备 基于全硅材料设计并制备了一种长波红外宽角超透镜阵列器件，为了减少宽角入射光聚焦引起的单色像差，通过引入角度依赖的相位分布函数对阵列中每个子透镜进行相位分布设计，使每个子透镜能够对特定角度的区域进行清晰成像，将分别负责不同角度的子透镜所成像进行拼接处理即可获得宽视场角成像。经测试该超透镜阵列器件成像视场角与设计保持一致，视场角大于60°，该设计为红外成像系统提供了一种超轻超薄、宽角成像的新型平面透镜设计方案，展现出超透镜在红外成像领域广阔的应用前景。 Computer science Metamaterials and Metasurfaces Applications
Authors: Xuejuan Liang | Jing Liu | Jiaxin Di | Nenqun Xiao | Yanmei Peng | Qixue Tian | Linglong Chen
Source: Frontiers in Microbiology (article, 2024-02-16)
Field: Chemistry — Organic Chemistry

Toxicity evaluation of processing Evodiae fructus based on intestinal microbiota In conclusion, PMEF significantly increased harmful bacteria (<i>Staphylococcus</i>, <i>Jeotgalicoccus</i>, and <i>Salinicoccu</i>) and decreased beneficial bacteria. SEF with 5 times the clinical dose showed nephrotoxicity and SEF nephrotoxicity decreased after processing, but EF hepatotoxicity was not significant, which may be due to insufficient dose concentration and time. Toxicity ; Gut flora ; Microbiology ; Biology ; Chemistry ; Medicine ; Biochemistry ; Internal medicine Quinazolinone synthesis and applications ; Ginseng Biological Effects and Applications ; Garlic and Onion Studies
Authors: Fengchao Yu | Yamei Deng | Alexey I. Nesvizhskii
Source: bioRxiv (Cold Spring Harbor Laboratory) (preprint, 2024-10-15)
Field: Chemistry — Spectroscopy

MSFragger-DDA+ Enhances Peptide Identification Sensitivity with Full Isolation Window Search Liquid chromatography-mass spectrometry (LC-MS) based proteomics, particularly in the bottom-up approach, relies on the digestion of proteins into peptides for subsequent separation and analysis. The most prevalent method for identifying peptides from data-dependent acquisition (DDA) mass spectrometry data is database search. Traditional tools typically focus on identifying a single peptide per tandem mass spectrum (MS2), often neglecting the frequent occurrence of peptide co-fragmentations leading to chimeric spectra. Here, we introduce MSFragger-DDA+, a novel database search algorithm that enhances peptide identification by detecting co-fragmented peptides with high sensitivity and speed. Utilizing MSFragger's fragment ion indexing algorithm, MSFragger-DDA+ performs a comprehensive search within the full isolation window for each MS2, followed by robust feature detection, filtering, and rescoring procedures to refine search results. Evaluation against established tools across diverse datasets demonstrated that, integrated within the FragPipe computational platform, MSFragger-DDA+ significantly increases identification sensitivity while maintaining stringent false discovery rate (FDR) control. It is also uniquely suited for wide-window acquisition (WWA) data. MSFragger-DDA+ provides an efficient and accurate solution for peptide identification, enhancing the detection of low-abundance co-fragmented peptides. Coupled with the FragPipe platform, MSFragger-DDA+ enables more comprehensive and accurate analysis of proteomics data. Sensitivity (control systems) ; Isolation (microbiology) ; Identification (biology) ; Peptide ; Computer science ; Chemistry ; Computational biology ; Biology ; Biochemistry ; Bioinformatics ; Engineering Advanced Proteomics Techniques and Applications ; Machine Learning in Bioinformatics ; Mass Spectrometry Techniques and Applications
Authors: Thomas F. Harrelson | Ibrahim Hajar | Omar A. Ashour | Sinéad M. Griffin
Source: Journal of Physics Condensed Matter (article, 2024-09-25)
Field: Materials Science — Materials Chemistry

Theoretical investigation of decoherence channels in athermal phonon sensors The creation and evolution of nonequilibrium phonons is central in applications ranging from cosmological particle searches to decoherence processes in qubits. However, the fundamental understanding of decoherence pathways for athermal phonon distributions in solid-state systems remains an open question. Using first-principles calculations, we investigate the primary decay channels of athermal phonons in two technologically relevant semiconductors-Si and GaAs. We quantify the contributions of anharmonic, isotopic, and interfacial scattering in these materials. From this, we construct a model to estimate the thermal power in a readout scheme as a function of time. We discuss the implication of our results on noise limitations in current phonon sensor designs and strategies for improving coherence in next-generation phonon sensors. Quantum decoherence ; Phonon ; Anharmonicity ; Physics ; Non-equilibrium thermodynamics ; Coherence (philosophical gambling strategy) ; Qubit ; Statistical physics ; Quantum ; Condensed matter physics ; Quantum mechanics Thermal properties of materials ; Advanced Semiconductor Detectors and Materials ; Advanced Thermoelectric Materials and Devices
Authors: Cai Yang | Chunying Chen | Thomas P. Ilett | Thomas A. Hazlehurst | David Hogg | Kevin J. Roberts
Source: Journal of Applied Crystallography (article, 2024-09-25)
Field: Materials Science — Materials Chemistry

Deconstructing 3D growth rates from transmission microscopy images of facetted crystals as captured <i>in situ</i> within supersaturated aqueous solutions Here, a morphologically based approach is used for the <i>in situ</i> characterization of 3D growth rates of facetted crystals from the solution phase. Crystal images of single crystals of the β-form of l-glutamic acid are captured <i>in situ</i> during their growth at a relative supersaturation of 1.05 using transmission optical microscopy. The crystal growth rates estimated for both the {101} capping and {021} prismatic faces through image processing are consistent with those determined using reflection light mode [Jiang, Ma, Hazlehurst, Ilett, Jackson, Hogg & Roberts (2024 ▸). <i>Cryst. Growth Des.</i> <b>24</b>, 3277-3288]. The growth rate in the {010} face is, for the first time, estimated from the shadow widths of the {021} prismatic faces and found to be typically about half that of the {021} prismatic faces. Analysis of the 3D shape during growth reveals that the initial needle-like crystal morphology develops during the growth process to become more tabular, associated with the Zingg factor evolving from 2.9 to 1.7 (>1). The change in relative solution supersaturation during the growth process is estimated from calculations of the crystal volume, offering an alternative approach to determine this dynamically from visual observations. Supersaturation ; Aqueous solution ; In situ ; Faceting ; Microscopy ; Materials science ; Crystallography ; Transmission electron microscopy ; Optics ; Chemistry ; Nanotechnology ; Physics ; Physical chemistry Crystallization and Solubility Studies ; Chemical and Physical Properties in Aqueous Solutions ; Calcium Carbonate Crystallization and Inhibition
Authors: Chuang Sun | Zixuan Wang | Kian Shen Kiang | Oleksandr Buchnev | Dawei Tang | Jize Yan | Jun‐Yu Ou
Source: Small (article, 2024-09-23)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Nonclassical Spin‐Multiplexing Metasurfaces Enabled Multifunctional Meta‐Scope Dielectric metasurfaces have emerged as attractive devices for advanced imaging systems because of their high efficiency, ability of wavefront manipulation, and lightweight. The classical spin-multiplexing metasurfaces can only provide two orthogonal circular polarization channels and require high phase contrast which limits their applications. Here, metasurfaces with arbitrary three independent channels are demonstrated by proposing a nonclassical spin-multiplexing approach exploring the low refractive index meta-atoms. A zoom microscope with on-axis tri-foci and a synchronous achiral-chiral microscope with in-plane tri-foci based on silicon nitride metasurfaces are experimentally demonstrated. Based on the on-axis tri-foci metasurface, singlet zoom imaging with three magnifications and a broadband response (blue to red) based on a single metasurface is first demonstrated. A compact microscope (meta-scope) consisting of two metasurfaces with three magnifications of 9.5, 10, and 29X with diffraction-limited resolutions is further constructed, respectively. Utilizing the in-plane tri-foci metasurface, a singlet microscope with three achiral-chiral channels is demonstrated. It offers a magnification of 53X and a diffraction-limited resolution, enabling simultaneous imaging of an object's achiral and chiral properties. Our multifunctional metasurfaces and meta-scope approaches could boost the applications in biological imaging and machine vision. Scope (computer science) ; Multiplexing ; Nanotechnology ; Materials science ; Spin (aerodynamics) ; Optoelectronics ; Computer science ; Engineering ; Telecommunications ; Aerospace engineering Metamaterials and Metasurfaces Applications ; Advanced Antenna and Metasurface Technologies ; Antenna Design and Analysis