jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Daosheng Liu | Peng Li | Yijie Chen
Source: CES Transactions on Electrical Machines and Systems (article, 2023-01-30)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Dry-Type AMDT Fault Detection Based on Vibration Signal Analysis by Wavelet Packet Amorphous metal distribution transformers (AMDT) are widely used in power grids due to their low no-load loss. Many scholars have carried out research on the fault detection of transformer windings, tap changers and the other parts. However, due to the high magnetostriction of the amorphous alloy, the vibration generated by AMDT during operation will cause various mechanical failures. This paper studies the vibration characteristics of SCBH 15-200/100 AMDT through no-load tests to find some mechanical failures of AMDT. The installation position of the vibration sensor in AMDT are determined according to finite element analysis (FEA) of the magnetic flux density distribution and modal analysis, and the vibration analyses are performed under different operating conditions of AMDT. The wavelet packet transform (WPT) is used to perform detailed analysis of the vibration signal in the time domain and frequency domain to obtain the energy characteristic value of each frequency band, and it includes the frequency spectrum and waveform data under normal and fault conditions. After obtaining the energy characteristic thresholds of different frequency bands under different conditions, the operating status can be detected by comparing test data with the thresholds. The operation condition including mechanical failures induced by magnetostrictive actions can be accurately determined by the energy characteristic value, such as loose nuts and stress, etc. Vibration ; Wavelet ; Acoustics ; Finite element method ; Waveform ; Frequency domain ; Magnetostriction ; Transformer ; Fault (geology) ; Engineering ; Structural engineering ; Electronic engineering ; Computer science ; Electrical engineering ; Voltage ; Physics ; Magnetic field Magnetic Properties and Applications ; Power Transformer Diagnostics and Insulation ; Power Quality and Harmonics
Authors: Gabriel Marton | Mark A. J. Koenis | Hongbing Liu | Carole A. Bewley | Wybren Jan Buma | Valentin Paul Nicu
Source: Angewandte Chemie International Edition (article, 2023-06-19)
Field: Chemistry — Spectroscopy

An Artificial Intelligence Approach for Tackling Conformational Energy Uncertainties in Chiroptical Spectroscopies Determination of the absolute configuration of chiral molecules is a prerequisite for obtaining a fundamental understanding in any chirality-related field. The interaction with polarised light has proven to be a powerful means to determine this absolute configuration, but its application rests on the comparison between experimental and computed spectra for which the inherent uncertainty in conformational Boltzmann factors has proven to be extremely hard to tackle. Here we present a novel approach that overcomes this issue by combining a genetic algorithm that identifies the relevant conformers by accounting for the uncertainties in DFT relative energies, and a hierarchical clustering algorithm that analyses the trends in the spectra of the considered conformers and identifies on-the-fly when a given chiroptical technique is not able to make reliable predictions. The effectiveness of this approach is demonstrated by considering the challenging cases of papuamine and haliclonadiamine, two bis-indane natural products with eight chiral centres and considerable conformational heterogeneity that could not be assigned unambiguously with current approaches. Conformational isomerism ; Chirality (physics) ; Absolute configuration ; Boltzmann constant ; Computer science ; Statistical physics ; Chemistry ; Physics ; Molecule ; Stereochemistry ; Thermodynamics ; Quantum mechanics Molecular spectroscopy and chirality ; Spectroscopy and Quantum Chemical Studies ; Photoreceptor and optogenetics research
Authors: Martin Enmark | Jörgen Samuelsson | Torgny Fornstedt
Source: Journal of Chromatography A (article, 2023-01-22)
Field: Chemistry — Spectroscopy

Development of a unified gradient theory for ion-pair chromatography using oligonucleotide separations as a model case Ion-pair chromatography is the de facto standard for separating oligonucleotides and related impurities, particularly for analysis but also often for small-scale purification. Currently, there is limited understanding of the quantitative modeling of both analytical and overloaded elution profiles obtained during gradient elution in ion-pair chromatography. Here we will investigate a recently introduced gradient mode, the so-called ion-pairing reagent gradient mode, for both analytical and overloaded separations of oligonucleotides. The first part of the study demonstrates how the electrostatic theory of ion-pair chromatography can be applied for modeling gradient elution of oligonucleotides. When the ion-pair gradient mode is used in a region where the electrostatic surface potential can be linearized, a closed-form expression of retention time can be derived. A unified retention model was then derived, applicable for both ion-pair reagent gradient mode as well as co-solvent gradient mode. The model was verified for two different experimental systems and homo- and heteromeric oligonucleotides of different lengths. Quantitative modeling of overloaded chromatography using the ion-pairing reagent gradient mode was also investigated. Firstly, a unified adsorption isotherm model was developed for both gradient modes. Then, adsorption isotherms parameter of a model oligonucleotide and two major synthetic impurities were estimated using the inverse method. Secondly, the parameters of the adsorption isotherm were then used to investigate how the productivity of oligonucleotide varies with injection volume, gradient slope, and initial retention factor. Here, the productivity increased when using a shallow gradient slope combined with a low initial retention factor. Finally, experiments were conducted to confirming some of the model predictions. Comparison with the conventional co-solvent gradient mode showed that the ion-pairing reagent gradient leads to both higher yield and productivity while consuming less co-solvent. Chemistry ; Elution ; Chromatography ; Reagent ; Oligonucleotide ; Ion chromatography ; Adsorption ; Ion ; Gradient elution ; Matrix (chemical analysis) ; Analytical Chemistry (journal) ; High-performance liquid chromatography ; Physical chemistry Analytical Chemistry and Chromatography ; Chromatography in Natural Products ; Protein purification and stability
Authors: Shubham Gupta | Justin Sing | Hannes Röst
Source: Communications Biology (article, 2023-10-30)
Field: Chemistry — Spectroscopy

Achieving quantitative reproducibility in label-free multisite DIA experiments through multirun alignment DIA is a mainstream method for quantitative proteomics, but consistent quantification across multiple LC-MS/MS instruments remains a bottleneck in parallelizing data acquisition. One reason for this inconsistency and missing quantification is the retention time shift which current software does not adequately address for runs from multiple sites. We present multirun chromatogram alignment strategies to map peaks across columns, including the traditional reference-based Star method, and two novel approaches: MST and Progressive alignment. These reference-free strategies produce a quantitatively accurate data-matrix, even from heterogeneous multi-column studies. Progressive alignment also generates merged chromatograms from all runs which has not been previously achieved for LC-MS/MS data. First, we demonstrate the effectiveness of multirun alignment strategies on a gold-standard annotated dataset, resulting in a threefold reduction in quantitation error-rate compared to non-aligned DIA results. Subsequently, on a multi-species dataset that DIAlignR effectively controls the quantitative error rate, improves precision in protein measurements, and exhibits conservative peak alignment. We next show that the MST alignment reduces cross-site CV by 50% for highly abundant proteins when applied to a dataset from 11 different LC-MS/MS setups. Finally, the reanalysis of 949 plasma runs with multirun alignment revealed a more than 50% increase in insulin resistance (IR) and respiratory viral infection (RVI) proteins, identifying 11 and 13 proteins respectively, compared to prior analysis without it. The three strategies are implemented in our DIAlignR workflow (>2.3) and can be combined with linear, non-linear, or hybrid pairwise alignment. Computer science ; Reproducibility ; Quantitative proteomics ; Pairwise comparison ; Bottleneck ; Workflow ; Data mining ; Pattern recognition (psychology) ; Chromatography ; Chemistry ; Proteomics ; Artificial intelligence Advanced Proteomics Techniques and Applications ; Metabolomics and Mass Spectrometry Studies ; Mass Spectrometry Techniques and Applications
Authors: Eduardo A. De La Toba | Krishna D. B. Anapindi | Jonathan V. Sweedler
Source: Journal of Proteome Research (article, 2023-02-21)
Field: Chemistry — Spectroscopy

Assessment and Comparison of Database Search Engines for Peptidomic Applications Protein database search engines are an integral component of mass spectrometry-based peptidomic analyses. Given the unique computational challenges of peptidomics, many factors must be taken into consideration when optimizing search engine selection, as each platform has different algorithms by which tandem mass spectra are scored for subsequent peptide identifications. In this study, four different database search engines, PEAKS, MS-GF+, OMSSA, and X! Tandem, were compared with <i>Aplysia californica</i> and <i>Rattus norvegicus</i> peptidomics data sets, and various metrics were assessed such as the number of unique peptide and neuropeptide identifications, and peptide length distributions. Given the tested conditions, PEAKS was found to have the highest number of peptide and neuropeptide identifications out of the four search engines in both data sets. Furthermore, principal component analysis and multivariate logistic regression were employed to determine whether specific spectral features contribute to false C-terminal amidation assignments by each search engine. From this analysis, it was found that the primary features influencing incorrect peptide assignments were the precursor and fragment ion <i>m</i>/<i>z</i> errors. Finally, an assessment employing a mixed species protein database was performed to evaluate search engine precision and sensitivity when searched against an enlarged search space containing human proteins. Database search engine ; Search engine ; Tandem mass spectrometry ; Peptide ; Principal component analysis ; Computer science ; Tandem ; Database ; Computational biology ; Selection (genetic algorithm) ; Data mining ; Mass spectrometry ; Biology ; Chemistry ; Chromatography ; Information retrieval ; Artificial intelligence ; Biochemistry ; Engineering Advanced Proteomics Techniques and Applications ; Mass Spectrometry Techniques and Applications ; Identification and Quantification in Food
Authors: Yuttana Intaravanne | Muhammad Afnan Ansari | Hammad Ahmed | Xianzhong Chen
Source: Advanced Optical Materials (article, 2023-04-28)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Creating Wavelength‐Selective Polarization Digital Numbers Abstract Polarization and wavelength are two important properties of light for understanding optics. Engineered polarization and wavelength profiles have received considerable interest due to their unusual optical features and more degrees of freedom. However, to simultaneously control polarization and wavelengths, conventional methods suffer from big pixel size, complicated fabrication process, and limited levels in phase control. The unprecedented capability of metasurfaces in the light control has shown much promise to tackle these challenges. Polarization digital numbers with ten different wavelengths are proposed and experimentally realized. A geometric metasurface is used to simultaneously realize wavelength multiplexing, phase multiplexing, and polarization rotation, creating wavelength‐selective polarization digital numbers. A deep learning approach is used to increase the identification accuracy of the digital numbers. The approach can simultaneously control wavelength and polarization, providing more design flexibility. This work may find applications in many fields such as virtual reality, image steganography, and anti‐counterfeiting. Polarization (electrochemistry) ; Multiplexing ; Wavelength ; Optics ; Materials science ; Optoelectronics ; Computer science ; Wavelength-division multiplexing ; Physics ; Telecommunications Metamaterials and Metasurfaces Applications ; Optical Polarization and Ellipsometry ; Liquid Crystal Research Advancements
Authors: Hiroki Ban | Shinya Sato | Shinya Yoshikawa | Kazumasa Yamada | Yoji Nakamura | Mutsuo Ichinomiya | Naoki Sato | Romain Blanc‐Mathieu | Hisashi Endo | Akira Kuwata | Hiroyuki Ogata
Source: Communications Biology (article, 2023-07-07)
Field: Materials Science — Biomaterials

Genome analysis of Parmales, the sister group of diatoms, reveals the evolutionary specialization of diatoms from phago-mixotrophs to photoautotrophs The order Parmales (class Bolidophyceae) is a minor group of pico-sized eukaryotic marine phytoplankton that contains species with cells surrounded by silica plates. Previous studies revealed that Parmales is a member of ochrophytes and sister to diatoms (phylum Bacillariophyta), the most successful phytoplankton group in the modern ocean. Therefore, parmalean genomes can serve as a reference to elucidate both the evolutionary events that differentiated these two lineages and the genomic basis for the ecological success of diatoms vs. the more cryptic lifestyle of parmaleans. Here, we compare the genomes of eight parmaleans and five diatoms to explore their physiological and evolutionary differences. Parmaleans are predicted to be phago-mixotrophs. By contrast, diatoms have lost genes related to phagocytosis, indicating the ecological specialization from phago-mixotrophy to photoautotrophy in their early evolution. Furthermore, diatoms show significant enrichment in gene sets involved in nutrient uptake and metabolism, including iron and silica, in comparison with parmaleans. Overall, our results suggest a strong evolutionary link between the loss of phago-mixotrophy and specialization to a silicified photoautotrophic life stage early in diatom evolution after diverging from the Parmales lineage. Biology ; Diatom ; Mixotroph ; Lineage (genetic) ; Phylum ; Phytoplankton ; Genome ; Sister group ; Gene ; Ecology ; Evolutionary biology ; Phylogenetics ; Nutrient ; Genetics ; Heterotroph ; Bacteria Diatoms and Algae Research ; Microbial Community Ecology and Physiology ; Genomics and Phylogenetic Studies
Authors: Zhan Shu | Xiong Li | Yande Liu
Source: Foods (article, 2023-07-06)
Field: Chemistry — Analytical Chemistry

Detection of Chili Foreign Objects Using Hyperspectral Imaging Combined with Chemometric and Target Detection Algorithms Chilies undergo multiple stages from field production to reaching consumers, making them susceptible to contamination with foreign materials. Visually similar foreign materials are difficult to detect manually or using color sorting machines, which increases the risk of their presence in the market, potentially affecting consumer health. This paper aims to enhance the detection of visually similar foreign materials in chilies using hyperspectral technology, employing object detection algorithms for fast and accurate identification and localization to ensure food safety. First, the samples were scanned using a hyperspectral camera to obtain hyperspectral image information. Next, a spectral pattern recognition algorithm was used to classify the pixels in the images. Pixels belonging to the same class were assigned the same color, enhancing the visibility of foreign object targets. Finally, an object detection algorithm was employed to recognize the enhanced images and identify the presence of foreign objects. Random forest (RF), support vector machine (SVM), and minimum distance classification algorithms were used to enhance the hyperspectral images of the samples. Among them, RF algorithm showed the best performance, achieving an overall recognition accuracy of up to 86% for randomly selected pixel samples. Subsequently, the enhanced targets were identified using object detection algorithms including R-CNN, Faster R-CNN, and YoloV5. YoloV5 exhibited a recognition rate of over 96% for foreign objects, with the shortest detection time of approximately 12 ms. This study demonstrates that the combination of hyperspectral imaging technology, spectral pattern recognition techniques, and object detection algorithms can accurately and rapidly detect challenging foreign objects in chili peppers, including red stones, red plastics, red fabrics, and red paper. It provides a theoretical reference for online batch detection of chili pepper products, which is of significant importance for enhancing the overall quality of chili pepper products. Furthermore, the detection of foreign objects in similar particulate food items also holds reference value. Hyperspectral imaging ; Artificial intelligence ; Computer science ; Pixel ; Support vector machine ; Sorting ; Object detection ; Computer vision ; Random forest ; Pattern recognition (psychology) ; Algorithm Spectroscopy and Chemometric Analyses ; Advanced Chemical Sensor Technologies ; Identification and Quantification in Food
Authors: Fan Ye | Mike Pivnenko | Huiyu Huang | Xin Chang | Lee Robinson | Youdou Zheng | Yi Shi | Daping Chu
Source: Nanophotonics (article, 2023-07-28)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Multi‐height metasurface for wavefront manipulation fabricated by direct laser writing lithography We introduce two types of dielectric metasurfaces, consisting of 3 × 3 regions, which manipulate wavefront by different feature heights. Both polarization-dependent and polarization-independent metasurfaces are realized for phase depth of 0 ∼ 2π at 1550 nm, with considerable average transmittance of 80.1 and 85.1 %, respectively. The phase modulation capability can be extended over a broadband range of 1460.1-1618.0 nm for optical communications, by carefully designing nanofeature sizes. Moreover, the entire metasurfaces with nanofeatures of varying heights can be fabricated in a single process by using direct laser writing with high-precision, which is beneficial for mass production and promising in developing efficient and ultracompact devices. Lithography ; Wavefront ; Materials science ; Optics ; Laser ; Maskless lithography ; Optoelectronics ; Nanotechnology ; Electron-beam lithography ; Physics ; Resist Metamaterials and Metasurfaces Applications ; Orbital Angular Momentum in Optics ; Advanced Optical Imaging Technologies
Authors: Stefania Liuzzi | Chiara Rubino | Francesco Martellotta | Pietro Stefanizzi
Source: Applied Sciences (article, 2023-04-08)
Field: Materials Science — Polymers and Plastics

Sustainable Materials from Waste Paper: Thermal and Acoustical Characterization A growing research interest currently exists in the use of paper as a building material. This work aims to present the results of a measurement campaign developed on innovative waste paper-based building components. The research was carried out in Southern Italy and used some local by-product aggregates. Three different mixture designs were developed in the laboratory by adding three kinds of biomass to a pulp paper blend: fava bean residues (FB), sawdust powder (SP) and coffee grains (CG) extracted from exhausted chaffs. A physical characterization was carried out measuring the bulk density and bulk porosity. Scanning Electron Microscopy (SEM) analysis of the single aggregates was followed by a microstructure analysis of the final components. Bulk density evaluation showed a range between 200 and 348 kg·m−3. Furthermore, thermal performances were measured; the thermal conductivity of the experimented samples ranged from 0.071 to 0.093 W·m−1·K−1, thus it is possible to classify the tested materials as thermal insulators. Moreover, the acoustic properties were evaluated and tested. The normal incidence sound absorption coefficient was measured by the impedance tube on cylindrical specimens. In general, a different behavior was observed between the upper and lower base of each specimen due to the manufacturing process and the shrinkage caused by the different interactions occurring between the aggregates and the pulp paper waste; for example, the presence of sawdust reduced shrinkage in the final specimens, with consequent smaller physical variations among the two faces. The correlation existing between the manufacturing process and the microstructural properties was also investigated by the estimation of the non-acoustical parameters using the inverse method and taking into account the JCA (Johnson, Champoux and Allard) model as a reference. Materials science ; Shrinkage ; Porosity ; Composite material ; Sawdust ; Waste paper ; Bulk density ; Thermal conductivity ; Microstructure ; Pulp and paper industry ; Waste management ; Environmental science ; Engineering Natural Fiber Reinforced Composites ; Advanced Cellulose Research Studies ; Wood Treatment and Properties
Authors: Kobra Yousefi | Siti Nor Akmar Abdullah | Muhammad Asyraf Md Hatta | Kong Ling
Source: Plants (review, 2023-05-08)
Field: Chemistry — Inorganic Chemistry

Genomics and Transcriptomics Reveal Genetic Contribution to Population Diversity and Specific Traits in Coconut Coconut is an economically important palm species with a long history of human use. It has applications in various food, nutraceuticals, and cosmetic products, and there has been renewed interest in coconut in recent years due to its unique nutritional and medicinal properties. Unfortunately, the sustainable growth of the coconut industry has been hampered due to a shortage of good quality seedlings. Genetic improvement through the traditional breeding approach faced considerable obstacles due to its perennial nature, protracted juvenile period, and high heterozygosity. Molecular biotechnological tools, including molecular markers and next-generation sequencing (NGS), could expedite genetic improvement efforts in coconut. Researchers have employed various molecular markers to reveal genetic diversity among coconut populations and for the construction of a genetic map for exploitation in coconut breeding programs worldwide. Whole genome sequencing and transcriptomics on the different varieties have generated a massive amount of publicly accessible sequence data, substantially improving the ability to analyze and understand molecular mechanisms affecting crop performance. The production of high-yielding and disease-resilient coconuts and the deciphering of the complex coconut genome's structure can profit tremendously from these technologies. This paper aims to provide a comprehensive review of the progress of coconut research, using genomics, transcriptomics, and molecular markers initiatives. Biology ; Genetic diversity ; Genomics ; Diversity (politics) ; Population genomics ; Evolutionary biology ; Population ; Transcriptome ; Genetics ; Computational biology ; Biotechnology ; Genome ; Gene ; Demography ; Sociology ; Gene expression Coconut Research and Applications ; Peanut Plant Research Studies ; Oil Palm Production and Sustainability