jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Diogo Gonzaga Marcelo | Júlio Cezar Oliveira Castioni | Clailton Leopoldo da Silva | Rafael Martins | Germano Lambert‐Torres | Ronny Francis Ribeiro | Mateus Mendes Campos | Isac Antônio dos Santos Areias | Frederico de Oliveira Assunção | Luiz Eduardo Borges da Silva
Source: Brazilian Archives of Biology and Technology (article, 2023-01-01)
Field: Materials Science — Materials Chemistry

Development of an Acoustic Test Bench for Fault Localization in Gas Insulation Substations Shielded substations with SF6 gas insulation (GIS) play a critical role in supplying power to urban areas, and it is crucial to quickly identify and isolate faults to restore system operation and meet supply demands. However, locating faults in such substations can involve extensive and time-consuming procedures, such as opening and closing hermetically sealed compartments containing SF6. This paper presents the development of an acoustic test bench that accurately replicates the dynamic characteristics of SF6 shielded substations. By utilizing the traveling wave technique, partial discharges occurring in high-voltage insulation can be detected and precisely located. The method employs various techniques, including the analysis of the arrival time of traveling waves at different points within the substation and triangulation methods. The use of traveling waves in partial discharge detection offers several advantages, such as precise fault location and non-interference with normal substation operations. Additionally, acoustic methods are highly sensitive to other sources of partial discharges, such as moving particles and fluctuating potential discharges. The results demonstrate that the combination of the acoustic test bench and the disturbance localization technique presents an innovative approach to fault location studies in GIS. The acoustic test bench enables controlled simulation of failure conditions, providing accurate data on the acoustic behavior of substations. Through the disturbance location technique, these data can be analyzed and interpreted to pinpoint the exact fault location. This integrated approach enhances the efficiency of the troubleshooting process and reduces the time required to repair GIS. Test bench ; Fault (geology) ; Acoustics ; Triangulation ; Computer science ; Engineering ; Mechanical engineering ; Geology ; Geography ; Physics ; Seismology ; Cartography High voltage insulation and dielectric phenomena ; Power Transformer Diagnostics and Insulation ; Geophysical Methods and Applications
Authors: Christopher D. McGann | Will Barshop | Jesse D. Canterbury | Chuwei Lin | Wassim Gabriel | Mathias Wilhelm | Graeme C. McAlister | Devin K. Schweppe
Source: bioRxiv (Cold Spring Harbor Laboratory) (preprint, 2023-02-09)
Field: Chemistry — Spectroscopy

Real-time spectral library matching for sample multiplexed quantitative proteomics Abstract Sample multiplexed quantitative proteomics has proved to be a highly versatile means to assay molecular phenotypes. Yet, stochastic precursor selection and precursor co-isolation can dramatically reduce the efficiency of data acquisition and quantitative accuracy. To address this, intelligent data acquisition (IDA) strategies have recently been developed to improve instrument efficiency and quantitative accuracy for both discovery and targeted methods. Towards this end, we sought to develop and implement a new real-time library searching (RTLS) workflow that could enable intelligent scan triggering and peak selection within milliseconds of scan acquisition. To ensure ease of use and general applicability, we built an application to read in diverse spectral libraries and file types from both empirical and predicted spectral libraries. We demonstrate that RTLS methods enable improved quantitation of multiplexed samples, particularly with consideration for quantitation from chimeric fragment spectra. We used RTLS to profile proteome responses to small molecule perturbations and were able to quantify up to 15% more significantly regulated proteins in half the gradient time as traditional methods. Taken together, the development of RTLS expands the IDA toolbox to improve instrument efficiency and quantitative accuracy in sample multiplexed analyses. Computer science ; Multiplexing ; Workflow ; Quantitative proteomics ; Selection (genetic algorithm) ; Real-time locating system ; Data mining ; Data acquisition ; Sample (material) ; Proteome ; Toolbox ; Matching (statistics) ; Computational biology ; Real-time computing ; Proteomics ; Artificial intelligence ; Bioinformatics ; Chemistry ; Biology ; Statistics ; Mathematics ; Chromatography ; Database Advanced Proteomics Techniques and Applications ; Mass Spectrometry Techniques and Applications ; Advanced Biosensing Techniques and Applications
Authors: Đỗ Đại Thắng | Chu Văn Tư | Đinh Văn Thuật | Nguyễn Minh Long
Source: Journal of Science and Technology in Civil Engineering (JSTCE) - HUCE (article, 2023-11-24)
Field: Materials Science — Materials Chemistry

Tính khả dụng của các quy trình tính toán sức kháng uốn cho dầm bị ăn mòn gia cường kháng uốn bằng tấm BFRP Bài báo kiểm chứng khả năng áp dụng quy trình tính toán khả năng kháng uốn của dầm bê tông cốt thép (BTCT) được gia cường bằng tấm FRP trong các hướng dẫn thiết kế CNR-DT 200 R1/2013 và ACI 440.2R-17 cho trường hợp dầm BTCT có cốt thép chịu kéo bị ăn mòn được gia cường bằng tấm BFRP. Kết quả kiểm chứng cho thấy các quy trình tính nêu trên cho kết quả an toàn và có độ phân tán thấp. Mức độ an toàn của các hướng dẫn này đều tăng theo mức độ ăn mòn của cốt thép và số lớp BFRP gia cường. Thực tế này cho thấy các hướng dẫn thiết kế nêu trên có thể áp dụng được cho trường hợp dầm có cốt thép bị ăn mòn được gia cường bằng tấm BFRP. Một hiệu chỉnh thực nghiệm nhằm xét đến ảnh hưởng của sự ăn mòn cốt thép đến biến dạng hữu hiệu của tấm BFRP cũng được bổ sung vào quy trình dự đoán khả năng kháng uốn của dầm BTCT bị ăn mòn được gia cường bằng tấm BFRP. Kết quả kiểm chứng cho thấy khả năng kháng uốn của dầm BTCT bị ăn mòn được gia cường bằng tấm BFRP có thể dự đoán được theo quy trình hiệu chỉnh này với kết quả gần với thực nghiệm hơn so với các hướng dẫn thiết kế đã nêu. Chemistry ; Stereochemistry Structural mechanics and materials ; Research studies in Vietnam ; Geodetic Measurements and Engineering Structures
Authors: T. Mitchell Roddenberry | Santiago Segarra
Source: arXiv (Cornell University) (preprint, 2023-02-11)
Field: Chemistry — Spectroscopy

Windowed Fourier Analysis for Signal Processing on Graph Bundles We consider the task of representing signals supported on graph bundles, which are generalizations of product graphs that allow for "twists" in the product structure. Leveraging the localized product structure of a graph bundle, we demonstrate how a suitable partition of unity over the base graph can be used to lift the signal on the graph into a space where a product factorization can be readily applied. Motivated by the locality of this procedure, we demonstrate that bases for the signal spaces of the components of the graph bundle can be lifted in the same way, yielding a basis for the signal space of the total graph. We demonstrate this construction on synthetic graphs, as well as with an analysis of the energy landscape of conformational manifolds in stereochemistry. Graph ; Computer science ; Graph product ; Lattice graph ; Mathematics ; Line graph ; Topology (electrical circuits) ; Voltage graph ; Theoretical computer science ; Combinatorics ; Pathwidth Molecular spectroscopy and chirality
Authors: Georgia Mitsa | Livia Florianova | Josiane Lafleur | Adriana Aguilar‐Mahecha | René P. Zahedi | Sonia V. del Rincón | Mark Basik | Christoph H. Borchers | Gerald Batist
Source: bioRxiv (Cold Spring Harbor Laboratory) (preprint, 2023-07-12)
Field: Chemistry — Spectroscopy

Clinical proteomics reveals vulnerabilities in non-invasive breast ductal carcinoma and drives personalized treatment strategies Abstract Ductal carcinoma in situ (DCIS) is the most common type (80%) of noninvasive breast lesions. The lack of validated prognostic markers, limited patient numbers and variable tissue quality significantly impact diagnosis, risk stratification, patient enrolment, and results of clinical studies. We performed label-free quantitative proteomics on 50 clinical formalin-fixed, paraffin embedded biopsies, validating 22 putative biomarkers from independent genetic studies. Our comprehensive proteomic phenotyping reveals more than 380 differentially expressed proteins and metabolic vulnerabilities, that can inform new therapeutic strategies for DCIS and IDC. Due to the readily druggable nature of proteins and metabolites, this study is of high interest for clinical research and pharmaceutical industry. To further evaluate our findings, and to promote the clinical translation of our study, we developed a highly multiplexed targeted proteomics assay for 90 proteins associated with cancer metabolism, RNA regulation and signature cancer pathways, such as Pi3K/AKT/mTOR and EGFR/RAS/RAF. Proteomics ; Druggability ; Breast cancer ; PI3K/AKT/mTOR pathway ; Ductal carcinoma ; Quantitative proteomics ; Biology ; Cancer ; Medicine ; Bioinformatics ; Cancer research ; Computational biology ; Oncology ; Internal medicine ; Gene ; Signal transduction ; Genetics Advanced Proteomics Techniques and Applications ; Cancer-related Molecular Pathways ; Cancer, Lipids, and Metabolism
Authors: Yan Jie Chester Ng | Kye Siong Leong | Ren‐You Gan | Yang Xian | Linda L. D. Zhong
Source: Research Square (preprint, 2023-03-23)
Field: Chemistry — Analytical Chemistry

Integration of systematic review and data mining techniques to reveal core anti-obesity medicinal plants Abstract Background: Obesity is a complex chronic disease that can lead to a variety of health problems. Despite its increasing frequency, there is still a lack of safe and effective treatment options. Traditional Chinese Medicine (TCM) herbal treatment is gaining medical attention as a potential alternative to disease treatment. Specifically, biomolecular interactions of the usage of paired herbs could yield essentially synergistic effects on the fight against obesity. Objective: This study aims to investigate the combination of core herbs and clustering patterns in obesity treatment using various data mining techniques. Methods: Eight electronic databases were searched from inception until December 2021 and 34 Randomized Control Trials (RCTs) were identified. Subsequently, 96 different herbs were extracted from the RCTs for association analysis and hierarchical clustering. The quality assessment of the trials was conducted using the Cochrane Collaboration’s Risk of Bias Tool. Results: Association analysis identified the core herb combination of Coptis chinensis , Epimedium grandiflorum , Salvia miltiorrhiza , and Poria cocos . Hierarchical clustering also identified meaningful clustering patterns amongst herbs based on similar therapeutic effects and meridian entry. Conclusion: Using an integrated approach of systematic review and data mining techniques has revealed core herbs for the treatment of obesity. However, more clinical trials/clinical studies are required to validate the clinical efficacy of the core herb combination. Medicine ; Cluster analysis ; Salvia miltiorrhiza ; Traditional medicine ; Clinical trial ; Angelica sinensis ; Epimedium ; Hierarchical clustering ; Coptis chinensis ; Data mining ; Traditional Chinese medicine ; Medicinal herbs ; Alternative medicine ; Herb ; Computer science ; Internal medicine ; Artificial intelligence Chromatography in Natural Products ; Pharmacological Effects of Natural Compounds ; Medicinal Plant Pharmacodynamics Research
Authors: Yucheng Zhang | Anthony R. Pullen | Rachel S. Somerville | Patrick C. Breysse | John C. Forbes | Shengqi Yang | Yin Li | Abhishek S. Maniyar
Source: arXiv (Cornell University) (preprint, 2023-02-22)
Field: Chemistry — Spectroscopy

Characterizing the Conditional Galaxy Property Distribution using Gaussian Mixture Models Line-intensity mapping (LIM) is a promising technique to constrain the global distribution of galaxy properties. To combine LIM experiments probing different tracers with traditional galaxy surveys and fully exploit the scientific potential of these observations, it is necessary to have a physically motivated modeling framework. As part of developing such a framework, in this work we introduce and model the conditional galaxy property distribution (CGPD), i.e. the distribution of galaxy properties conditioned on the host halo mass and redshift. We consider five galaxy properties, including the galaxy stellar mass, molecular gas mass, galaxy radius, gas phase metallicity and star formation rate (SFR), which are important for predicting the emission lines of interest. The CGPD represents the full distribution of galaxies in the five dimensional property space; many important galaxy distribution functions and scaling relations, such as the stellar mass function and SFR main sequence, can be derived from integrating and projecting it. We utilize two different kinds of cosmological galaxy simulations, a semi-analytic model and the IllustrisTNG hydrodynamic simulation, to characterize the CGPD and explore how well it can be represented using a Gaussian mixture model (GMM). We find that with just a few ($\sim 3$) Gaussian components, a GMM can describe the CGPD of the simulated galaxies to high accuracy for both simulations. The CGPD can be mapped to LIM or other observables by constructing the appropriate relationship between galaxy properties and the relevant observable tracers. Physics ; Astrophysics ; Galaxy ; Interacting galaxy ; Galaxy formation and evolution ; Redshift ; Galaxy merger ; Astronomy ; Statistical physics Spectroscopy and Laser Applications ; Galaxies: Formation, Evolution, Phenomena
Authors: Ryosuke Shibukawa | Ryo Tamura | Koji Tsuda
Source: arXiv (Cornell University) (preprint, 2023-09-08)
Field: Materials Science — Surfaces, Coatings and Films

Boltzmann sampling with quantum annealers via fast Stein correction Despite the attempts to apply a quantum annealer to Boltzmann sampling, it is still impossible to perform accurate sampling at arbitrary temperatures. Conventional distribution correction methods such as importance sampling and resampling cannot be applied, because the analytical expression of sampling distribution is unknown for a quantum annealer. Stein correction (Liu and Lee, 2017) can correct the samples by weighting without the knowledge of the sampling distribution, but the naive implementation requires the solution of a large-scale quadratic program, hampering usage in practical problems. In this letter, a fast and approximate method based on random feature map and exponentiated gradient updates is developed to compute the sample weights, and used to correct the samples generated by D-Wave quantum annealers. In benchmarking problems, it is observed that the residual error of thermal average calculations is reduced significantly. If combined with our method, quantum annealers may emerge as a viable alternative to long-established Markov chain Monte Carlo methods. Markov chain Monte Carlo ; Importance sampling ; Sampling (signal processing) ; Boltzmann machine ; Computer science ; Algorithm ; Monte Carlo method ; Resampling ; Quantum ; Weighting ; Statistical physics ; Bayesian probability ; Mathematical optimization ; Mathematics ; Statistics ; Artificial intelligence ; Physics ; Quantum mechanics ; Artificial neural network Electron and X-Ray Spectroscopy Techniques ; Machine Learning in Materials Science ; Laser-induced spectroscopy and plasma
Authors: Editya Fukata | Ahmad Abdullah
Source: World Journal of Advanced Research and Reviews (article, 2023-02-28)
Field: Chemistry — Analytical Chemistry

Predicting L-carnitine potential as LDH-inhibitor through In Silico approach Background: L-carnitine (LC) is suggested to inhibit lactate accumulation post-exercise. However, the exact mechanism of how LC inhibits lactate accumulation is still elusive. Lactate dehydrogenase (LDH) is a key enzyme that catalyzes the interconversion of pyruvate and lactate. Thus, the present study aimed to investigate the effect of LC in inhibiting LDH through in silico approach. Methods: The methods used in this study consisted of protein and ligand data collection, pharmacokinetic analysis, molecular docking, and molecular dynamics. The ligands used in this study are L-Carnitine and LDH-A inhibitor (AZ-33) as the control ligand, while the protein is human muscle LDH-A. Results: The results of this study indicate that L-carnitine has the potential to be an oral-drug candidate as it fulfills all Lipinski criteria and shows good cell membrane permeability. However, molecular docking showed that LC has weaker binding affinity values (-5.2 kcal/mol) than AZ-33 (-8.8 kcal/mol) to LDH-A. LC also interacts with different amino acid residues in LDH-A compared to AZ-33. Despite that, the molecular dynamic study revealed that LC forms more stable interactions with LDH-A. Conclusion: LC can bind to LDH-A with more stability than AZ-33, despite its weaker binding affinity to LDH-A and different interacting residues. Further study is needed to investigate the other mechanism that explains the effect of LC in inhibiting lactate accumulation. In silico ; Chemistry ; Carnitine ; Computational biology ; Biochemistry ; Biology Analytical Methods in Pharmaceuticals
Authors: Hà Thanh Tùng | Dieu An Nguyen Thi
Source: Bulletin of Electrical Engineering and Informatics (article, 2023-12-13)
Field: Materials Science — Materials Chemistry

Utilizing SrSi&lt;sub&gt;2&lt;/sub&gt;O&lt;sub&gt;2&lt;/sub&gt;N&lt;sub&gt;2&lt;/sub&gt;:Eu&lt;sup&gt;2+&lt;/sup&gt;,Yb&lt;sup&gt;2+&lt;/sup&gt; phosphor to achieve high hue rendering index and high hue stability For white-light emitting diode (WLED) applications, a green-to-orange emission nitridosilicate-based phosphor is created. The observed wide-band radiation in the green-orange range is caused by Eu2+ and Yb2+ at the trap point of a doubly doped SrSi2O2N2:Eu2+,Yb2+ (SSON:Eu,Yb) nitridosilicate phosphor. The green-color radiation’s decay duration was measured to validate the energy transfer among activator ions. The co-doping various ratios’ influence of activator ions on luminescence features was investigated. The resulting phosphor’s radiation is a function of the activator ion concentrations and raising the Yb2+ concentration causes red-color radiation to dominate the green radiation. To generate white illumination, the resulting phosphor was coupled with an InGaN blue-LED chip having a pumping wavelength of 450 nm. Two stages were taken to achieve hue balance management. Initially, the green to orange proportion was tuned by varying the Eu2+ and Yb2+ ions’ concentrations. At the second stage, the Commission Internationale de L’Eclairage, International Commission on Illumination (CIE) coordinates were changed from [0.2805; 0.2014] to [0.4071; 03789] by raising the amount of phosphor powder used. White illumination produced under optimal conditions has a hue rendering indicator of 89. The designed single-stage dual-hue-releasing nitridosilicate phosphor and blue-LED chip displayed remarkable hue steadiness over a wideband of forward-bias currents (100 to 500 mA at 3 V). Phosphor ; Materials science ; Activator (genetics) ; Luminescence ; Ion ; Analytical Chemistry (journal) ; Doping ; Color rendering index ; Green-light ; Chromaticity ; Optoelectronics ; Chemistry ; Optics ; Physics ; Blue light Luminescence Properties of Advanced Materials ; GaN-based semiconductor devices and materials ; Photorefractive and Nonlinear Optics
Authors: A. Eswari | M R Duraisamy | M Praneetha | Senthamizh Selvi B
Source: Madras Agricultural Journal (article, 2023-01-01)
Field: Chemistry — Inorganic Chemistry

Developing Prediction and Forecasting modelfor coconut under weather parameters and external factors in Coimbatore district. Coconut is the most important plantation crop, planted in nearly every country. Coimbatore is the major producer of coconut in Tamil Nadu, followed by Thanjavur and Kanyakumari, hence this research is focused on the Coimbatore district. West Coast Tall is the popular variety which gives better yield than other varieties. This study was carried out on West Coast Tall (WCT) variety. In this paper, Coconut yield prediction model is developed under weather and external factors such as Minimum temperature, Relative Humidity, Rainfall, Plant height, Stem girth, Female flowers in inflorescence, Leaf length and Copra content. Correlation and multiple regression analysis is carried out to obtain the final form of the yield prediction model. Further, we validate this model using field-level data from TNAU coconut research farm using MATLAB and python software. The actual yield in comparison with the predicted yield using software is found to be in satisfactory agreement. In addition, we developed forecasting model for coconut for forthcoming years using proposed model. Copra ; Threshing ; Yield (engineering) ; Mathematics ; Regression analysis ; Crop ; Inflorescence ; Agronomy ; Horticulture ; Biology ; Statistics ; Botany Coconut Research and Applications ; Agricultural Economics and Practices ; Natural Products and Biological Research
Authors: Wei Wang | Yongping Li
Source: Preprints.org (preprint, 2023-04-25)
Field: Chemistry — Spectroscopy

Design and Implementation of an Orbitrap Mass Spectrometer Data Acquisition System for Atmospheric Molecule Identification Orbitrap mass spectrometers have been widely used in environmental component analysis . This paper presents an enhanced data acquisition system for in-situ detection of Orbitrap mass spectrometry, which enables in-suit real-time signal processing and analysis for atmospheric molecules with small mass numbers.During previous space atmospheric explorations, quadrupole mass spectrometry (QMS) was usually utilized for analyzing isotopic compositions and complicated compounds in the mixture. However, the inevitable ion scattering and drift during mass transfer, as well as the QMS attenuator loss, result in a relatively lower signal-to-noise ratio of the produced mass spectrum. In recent years, a novel mass spectrometer, called an Orbitrap mass spectrometer, has been gradually accepted and used because of its non-destructive detection ability, high mass resolution, and accuracy. Nevertheless, Fourier transform ion cyclotron resonance mass spectrometry (FT-ICR MS) is preferred over the Orbitrap mass spectrometry for ground applications, especially for detecting low-mass components (e.g. below 50 atomic mass units) due to the former’s superior resolution. As the mass number decreases, the detection system demands a higher sampling and processing rate. Additionally, in ground-based scenarios, mass spectrometry analysis software on computers is often employed to analyze the signals. Therefore, in order to achieve in-situ detection of the space atmospheric environment using the Orbitrap mass spectrometer, this paper proposes a real-time signal acquisition and processing system for mass spectrometry analysis. The system comprises of signal conditioning circuits, analog-to-digital conversion circuits, programmable logic circuits, and related software. These components perform spectrum analysis and process the signal in real-time on hardware components, allowing for high-speed acquisition and analysis of the signals produced by the Orbitrap mass spectrometer. Orbitrap ; Mass spectrometry ; Fourier transform ion cyclotron resonance ; Chemistry ; Hybrid mass spectrometer ; Analytical Chemistry (journal) ; Mass spectrum ; Quadrupole mass analyzer ; Selected reaction monitoring ; Chromatography ; Tandem mass spectrometry Mass Spectrometry Techniques and Applications ; Isotope Analysis in Ecology ; Advanced Chemical Sensor Technologies