jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Alejandro Santos Pérez
Source: Actas Iberoamericanas en Ciencias Sociales (article, 2025-05-17)
Field: Chemistry — Physical and Theoretical Chemistry

Importancia de la asignatura Laboratorio de Química analítica en estudiantes universitarios Este trabajo analiza el rol formativo del laboratorio de Química Analítica en la educación superior, destacando su relevancia más allá del aprendizaje técnico. A partir de una revisión crítica de la literatura especializada, se argumenta que el laboratorio constituye un espacio clave para integrar teoría, práctica, ética y colaboración, favoreciendo el desarrollo de competencias cognitivas complejas como el pensamiento crítico, la interpretación de datos y la toma de decisiones. Se revisan también experiencias en contextos virtuales o con limitaciones de infraestructura, concluyendo que, aunque útiles como complemento, estas alternativas no logran sustituir la riqueza pedagógica de la experiencia experimental real. Además, se discute el valor del error como herramienta de aprendizaje, la dimensión ética del trabajo en laboratorio y su papel en la formación de científicos reflexivos y comprometidos. Finalmente, se reconocen algunas limitaciones del análisis y se propone ampliar la reflexión hacia otras disciplinas y contextos educativos, así como explorar nuevas estrategias pedagógicas que permitan fortalecer el vínculo entre teoría y práctica en el ámbito científico. Art Various Chemistry Research Topics ; Science Education and Pedagogy ; Chemical and Environmental Engineering Research
Authors: Wanlin Chen | Marie‐Pierre Gaigeot | Simone Pezzotti
Source: Physical Review Research (article, 2025-06-05)
Field: Chemistry — Physical and Theoretical Chemistry

Surface charge pattern: Impact on vibrational spectroscopy and physics of charged interfaces Surface-specific vibrational spectroscopies revolutionized the study of charged interfaces, by sensitively probing water's response in the electric double layer (EDL) and correlating it with surface charge via models like Gouy-Chapman-Stern. The assumed one-to-one relationship between water's spectroscopic response and surface charge has been widely accepted without question. We hereby propose a theoretical experiment to evaluate this assumption. Interestingly, our findings reveal a non-one-to-one relationship between surface charge and spectroscopic response, exhibiting a fascinating dependence on surface topology. Charge (physics) ; Spectroscopy ; Surface (topology) ; Surface science ; Surface charge ; Physics ; Engineering physics ; Materials science ; Astronomy ; Particle physics ; Geometry ; Quantum mechanics Electrostatics and Colloid Interactions ; Non-Destructive Testing Techniques ; Electrical and Bioimpedance Tomography
Authors: Udeme Chukwuemeka Inyang-Udoh | A. Battistini | Lloyd Jones | Alexander J. Leide | M.R. Wenman | T.A. Haynes
Source: Journal of Nuclear Materials (article, 2025-11-20)
Field: Materials Science — Materials Chemistry

The impact of the matrix and buffer properties on residual stresses in TRISO particles during manufacture and early life A three-dimensional finite-element model was developed using Abaqus to simulate the fabrication and initial power ramp-up of a tri-structural isotropic (TRISO) particle, featuring a UO2 kernel, encapsulated in either a SiC or graphite matrix. After sintering, the residual compressive hoop stress in the SiC coating layer reached -540 MPa when encapsulated in a graphite matrix, 94 MPa more compressive than in a SiC matrix. However, following the initial power ramp-up, the predicted compressive hoop stresses in the SiC layer of a particle embedded in a SiC matrix (-388 MPa) were significantly greater than in a graphite matrix (-222 MPa), emphasizing the matrix material's critical role in the stress state of the SiC layer. Model validation attempts were made with the experimental measurements of the residual stresses of a zirconia-kernel surrogate particle. We found that in a fully-bonded surrogate TRISO particle, the stress state of the SiC layer is highly sensitive to the buffer porosity with compressive SiC layer hoop stresses ranging from up to -1.06 GPa at a porosity of 0.14 to -0.77 GPa at a porosity of 0.60. Partial kernel/buffer delamination simulations revealed a significantly varied geometric stress distribution, with tensile stresses reaching up to +54 MPa and compressive stresses up to -546 MPa at different axes of the sectioned plane in the model. This finding suggests that contrary to the common assumption of complete delamination at the kernel/buffer interface during fabrication, partial delamination is a more plausible explanation for the high compressive stresses observed in the SiC layer experimentally. Porosity ; Delamination (geology) ; Residual stress ; Compressive strength ; Graphite ; Ultimate tensile strength ; Layer (electronics) ; Stress (linguistics) ; Isotropy Graphite, nuclear technology, radiation studies ; Advanced ceramic materials synthesis ; Nuclear reactor physics and engineering
Authors: Henock M. Deberneh | Michael E. Taylor | Kamil Kobak | Michael Kinter | Benjamin F. Miller | Rovshan G. Sadygov
Source: Communications Chemistry (article, 2025-11-26)
Field: Chemistry — Spectroscopy

Duplexing metabolic deuterated water-labeled samples using dimethyl labeling to estimate protein turnover rates Metabolic labeling with deuterated water (D<sub>2</sub>O), combined with liquid chromatography coupled to mass spectrometry (LC-MS), is used to study turnover rates of individual proteins in vivo. Often, protein turnover rates from two (treatment and control) conditions are compared. The turnover rates are obtained from time course LC-MS experiments for each condition. Here, we explore dimethyl duplexing to directly compare label enrichment from two D<sub>2</sub>O-labeled samples in a single LC-MS experiment. Light and heavy dimethyl channels carry two metabolically labeled samples. Protein turnover is modeled as a time course of the ratio of the monoisotopic relative abundance of a peptide in the heavy dimethyl channel to that in the light dimethyl channel. The turnover rates computed using the duplexed samples were close to those of non-duplexed samples. We illustrate the advantages of this method through the analysis of liver proteome dynamics in rapamycin-treated mice compared to control mice. Protein turnover ; Turnover ; Proteome ; Mass spectrometry ; Deuterium ; Metabolism ; Quantitative proteomics ; Proteomics Mass Spectrometry Techniques and Applications ; Chemical Reactions and Isotopes ; Advanced Proteomics Techniques and Applications
Authors: Rodrigo Santos | Cláudio M.N.A. Pereira | Paulo Cezar Rocha Silveira
Source: The Journal of Engineering and Exact Sciences (article, 2025-07-27)
Field: Materials Science — Materials Chemistry

Sistema Aéreo de Monitoramento de Emissões Radioativas - SAMER A evolução tecnológica contribuiu para a elaboração de técnicas de construção em escala nanométrica o que possibilitou o desenvolvimento de sistemas eletrônicos ultracompactos. Baseados nestes sistemas foram construídos diversos Veículos Remotamente Pilotados (RPV), dentre estes, a Aeronave Remotamente Pilotada (RPA), também conhecida como “Drone”, têm alcançado grande relevância em diversos segmentos. Os RPV’s apresentam características que favorecem a realização de tarefas complexas ou que ofereçam riscos á saúde humana possibilitando a execução de tarefas como monitoramento de locais de desastre, acesso a ambiente em águas ultra profundas ou o monitoramento do deslocamento de lava vulcânica. Um dos ambientes hostis à presença humana é o ambiente onde existem materiais radioativos proporcionando um contexto para a aplicação das potencialidades dos sistemas de RPV’s. Neste trabalho é descrito o desenvolvimento de um sistema que utiliza uma RPA para monitoramento e detecção de emissões radioativas possibilitando o acompanhamento e a verificação da intensidade destas emissões. O sistema também é capaz de identificar a localização destas emissões possibilitando a elaboração de um mapa das emissões encontradas na área monitorada, o sistema realiza o registro das informações coletadas e posterior análise destas informações. Com o objetivo de avaliar as possibilidades de emprego do sistema, foi elaborada uma abordagem para a realização do levantamento radiométrico de uma determinada área, que consiste na realização de dois sobrevoos sobre a área citada, um sobrevoo dinâmico para identificar pontos de maior probabilidade de presença de material radioativo e outro sobrevoo mais específico para a verificação da intensidade da taxa de dose nos pontos identificados no sobrevoo anterior. Apenas os dados referentes ao primeiro sobrevoo serão tratados neste trabalho. O desenvolvimento do sistema proporcionou a identificação de possibilidades de expansão do próprio sistema e de integração com outros sistemas, possibilidades que poderão ser exploradas em desenvolvimentos futuros. Environmental science Graphite, nuclear technology, radiation studies ; Risk and Safety Analysis
Authors: John Young
Source: Proceedings of the Nova Scotian Institute of Science (article, 2025-10-20)
Field: Chemistry — Physical and Theoretical Chemistry

Chemistry and computers – a personal recollection Employment as a senior chemical research engineer with a US oil company led me to a two year loan assignment to its refinery in Dart-mouth, Nova Scotia, in 1967-69. During this period, I came to like living in Nova Scotia, so in January, 1970, I resigned and became a computerization advisor to then President of Saint Mary’s University (SMU), Dr. Henry Labelle, S.J. Subsequently in 1972, I was offered the position at SMU as an associate professor of physical chemistry with a particular research interest in computerization of analytical chemistry procedures. Recall ; Loan ; Position (finance) ; Nova (rocket) ; Refinery Various Chemistry Research Topics
Authors: Grigorios Koltsakis | Elias Mylonidis | Giannis Markomanolakis | Niki Chatzipartali | Harish Chhatija
Source:  (article, 2025-10-19)
Field: Materials Science — Materials Chemistry

Increasing the Predictivity of Wall-Flow Filter Model Using the Parallel Capillaries Concept Abstract Single- and multi-channel wall-flow filter models are powerful tools to study and optimize exhaust aftertreatment systems. These models typically account for pressure drop, soot filtration efficiency and oxidation as well as catalytic reactions in case of coating presence. Since the above phenomena are tightly coupled, it is necessary to use computationally efficient approaches to model all of them simultaneously. There is a growing need for models that can predict the impact of wall microstructure parameters, i.e. pore size and size distribution, which may further vary locally in the wall-flow or axial flow direction. This paper presents the concept of the parallel capillary model, as an alternative to the recently published polydisperse grain models. This model receives the pore size distribution as direct input without the pore-to-grain transformation step and is readily integrated in a complete single- and multi-channel simulation framework, therefore accounting simultaneously for soot oxidation and catalytic reactions. The performance of the new model is tested by employing experimental measurements on Gasoline Particulate Filters installed on an Engine Test Bench. The size resolved filtration measurements demonstrate a good accuracy potential of the parallel capillary model for clean state and soot loaded filter condition. The new model is particularly promising for the case of complex wall microstructures that evolve after partial application of catalytic coatings that may result in preferential accumulation of catalyst coating on the wall surface or within the wall pores (on-wall vs in-wall coating). Potential axial variations of the coating (e.g. zone coating) may also be dealt with using the proposed method. Finally, the new model is expected to shed light to phenomena that are not explainable using the conventional methods, in particular the so-called pressure drop hysteresis observed during filter regeneration. Filtration (mathematics) ; Soot ; Coating ; Filter (signal processing) ; Microstructure ; Diesel particulate filter ; Capillary action ; Porosity Catalytic Processes in Materials Science ; Aerosol Filtration and Electrostatic Precipitation ; Heat and Mass Transfer in Porous Media
Authors: Feng Zhang | Yuxiao Xu | Yuxiang Tian | Cheng Han | Yitao Hu | Xiaoxiao Liu
Source: Electronics (article, 2025-08-31)
Field: Materials Science — Materials Chemistry

Importance Measure Analysis of Output Performance of Multi-State Flexoelectric Structures Based on Variance In recent years, the flexoelectric effect has demonstrated significant potential for applications in sensing, actuation, energy acquisition and other related fields. As the primary structure of flexural output, the flexoelectric beam structure also exhibits substantial potential for development and application. However, flexoelectric output is unable to function effectively at the macroscale, and the impact of the uncertainty of the parameters of flexoelectric material on the flexural output remains unclear. To address the issue of parameter uncertainty, this paper employs the analysis method based on variance-driven coupled with moment-free measure to study the impact caused by structural parameters on the uncertainty of the output voltage of the flexural electron beam in the case of an open circuit, the influence on the output charge uncertainty under short-circuit conditions, and the influence on the effective piezoelectric coefficient uncertainty. This study of parameter uncertainty offers a valuable reference for the reliability assessment and structural optimization design of flexural electric beam and provides theoretical support for the macroscale application of the flexoelectric effect. Measure (data warehouse) ; Variance (accounting) ; State (computer science) ; Statistics ; Materials science ; Mathematics ; Computer science ; Data mining ; Algorithm ; Economics Nonlocal and gradient elasticity in micro/nano structures ; Structural Response to Dynamic Loads ; Vibration and Dynamic Analysis
Authors: Thomas Henneron | J. Tomezyk | Eric Semail
Source: International Journal of Numerical Modelling Electronic Networks Devices and Fields (article, 2025-01-01)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Surrogate Modeling for Drive Co‐Simulation Including Local Irreversible Demagnetization Knowledge ABSTRACT In order to survey possible local demagnetization of permanent magnet drives during transient operations and/or faulty functioning in case of multi‐phase drives, co‐simulation including converter, vector control, and finite element model could be investigated. Nevertheless, expensive simulation time limits practically this solution. To solve this problem, the paper proposes a surrogate model of an electrical machine taking into account locally the irreversible demagnetization effect. In case of a multi‐phase machine working in transient operations and irreversible demagnetization, the proposed surrogate model gives large benefit in computational time in comparison with an finite element approach. Co-simulation ; Demagnetizing field ; Computer science ; Reliability engineering ; Materials science ; Automotive engineering ; Simulation ; Engineering ; Physics ; Magnetization Magnetic Properties and Applications ; Electric Motor Design and Analysis ; Magnetic Properties of Alloys
Authors: Leonid Tyan | Valentyna Kostiuk | Nicholas S. Diab | David Zenisek | Mustafa K. Khokha
Source: Research Square (preprint, 2025-06-03)
Field: Chemistry — Spectroscopy

Germ layer-specific interaction of ion channels and transporters controls membrane potential and left-right patterning Germ ; Biophysics ; Membrane ; Ion channel ; Layer (electronics) ; Chemistry ; Transporter ; Cell biology ; Nanotechnology ; Biology ; Materials science ; Biochemistry ; Receptor Mass Spectrometry Techniques and Applications ; Ion channel regulation and function
Authors: Inês F. Domingos | André Q. Figueiredo | Hugo Miguel Santos | Carlos Lodeiro | Orfeu Flores | Gonçalo Dória | Rodrigo Patricio | Ivo Lopes | Laura Mercolini | Tereza Cartaxo | José Luís Capelo
Source: Portuguese National Funding Agency for Science, Research and Technology (RCAAP Project by FCT) (article, 2025-11-01)
Field: Chemistry — Spectroscopy

The 1Student–1Apparatus (1S1A) Model Limited access to hands-on laboratory equipment remains a significant barrier to effective science education. To address this challenge, we evaluated the analytical performance of the Doctor Vida® Education platform - an ultra-compact, low-cost, multifunctional analytical device designed under the ‘One Student–One Apparatus’ (1S1A) model. Using the Bradford method, we quantified total protein in urine and serum samples and compared results against those obtained from a commercial CLARIOstar® microplate reader. Calibration curves constructed from eight independent replicates revealed comparable slopes and intercepts between the two systems, with Doctor Vida® Education device demonstrating high linearity and repeatability. Despite the CLARIOstar® achieving lower limits of detection and quantification, the Doctor Vida® Education device showed superior reproducibility, with consistently lower relative standard deviations across operators and experimental conditions. Statistical analysis of urine and serum measurements confirmed strong agreement between methods, with no significant differences in most samples and improved precision observed with Doctor Vida® Education device in serum analysis. With a unit cost below 1000 €, the Doctor Vida® Education device platform proves to be a reliable, robust, and accessible solution for individualized, competence-based learning in analytical sciences. Calibration ; Linearity ; Calibration curve ; Statistical analysis ; Standard deviation ; Relative standard deviation Advanced Proteomics Techniques and Applications ; Clinical Laboratory Practices and Quality Control ; Metabolomics and Mass Spectrometry Studies
Authors: Sthitadhi Das
Source: Gulf Journal of Mathematics (article, 2025-10-20)
Field: Chemistry — Analytical Chemistry

Study on efficacy of Anderson-Darling test statistic in multiple nonparametric regression using adaptive splines The Anderson–Darling (AD) statistic is a well-known goodness-of-fit metric that is valued for its sensitivity to tail behaviour. The standard AD test may be distorted by the bias and variability of nonparametric estimation; however, residual-based tests are essential in multiple nonparametric regression to confirm assumptions such as homoscedasticity and normality. This paper suggests using adaptive spline smoothing to estimate conditional mean and variance functions prior to applying the AD statistic to standardised residuals. Adaptive splines adjust locally to capture nonlinear structure while minimising bias, and the test is calibrated through a bootstrap procedure. Together, these processes yield more reliable inference. This approach improves the power and accuracy of the AD test in complex regression scenarios, as shown by both theory and simulations. Nonparametric statistics ; Homoscedasticity ; Test statistic ; Nonparametric regression ; Goldfeld–Quandt test ; Statistic ; Metric (unit) ; Resampling ; Smoothing ; Statistical hypothesis testing Spectroscopy and Chemometric Analyses ; Advanced Statistical Methods and Models
Authors: Rasna Gupta | Ankit Gupta
Source: Indian Journal of Medical Biochemistry (article, 2025-12-31)
Field: Chemistry — Physical and Theoretical Chemistry

Integrating Paper Chromatography with Clinical Case Analysis: A Teaching Module on Phenylketonuria for Undergraduate Medical Students Background: Competency-based medical education (CBME) recommends the improvement of traditional laboratory-based practical curriculum by aligning with clinical case scenarios and the interpretation of results in disease diagnosis.Here, a laboratory exercise on paper chromatography was developed for undergraduate medical students by combining it with a clinical case on phenylketonuria (PKU).Materials and methods: Paper chromatography was used to detect phenylalanine (Phe) in the given unknown sample based on the calculated retardation factor (R f ) value and comparison with known amino acids (phenylalanine, proline, leucine).The diagnosis for PKU was made based on the result and clinical interpretation of the given clinical case.A multilevel voluntary questionnaire was sent to students through Google Form to evaluate the laboratory exercise.Results: We found that PKU is the best case for demonstrating chromatography to medical graduates compared to other inborn errors of amino acid metabolism.Very few students (0-2%) responded as "No" or "Little".Overall, the practical session in paper chromatography was highly effective, with over 80% of students rating their skill development, understanding, and engagement as "Good" or "Great" across all evaluated aspects. Conclusion:The integration of paper chromatography with clinical case analysis offers a robust, multidimensional approach to teaching complex metabolic disorders such as PKU.This module not only reinforces fundamental biochemical concepts through hands-on experimentation but also deepens clinical reasoning by linking laboratory data with real-world patient scenarios.Furthermore, the method has the potential to screen for PKU in the large rural population, particularly in limited settings. Paper chromatography ; Clinical Practice ; Clinical diagnosis ; MEDLINE Various Chemistry Research Topics ; Problem and Project Based Learning ; Medical Case Reports and Studies
Authors: A R Abu Bakar | Halina Sendera Mohd Yakin | Rafidah Nordin
Source: e-Jurnal Penyelidikan dan Inovasi (article, 2025-12-20)
Field: Chemistry — Inorganic Chemistry

Innovation of 3-in-1 ‘Bawing’ Comprehensive Modules In response to humanitarian challenges, declining youth engagement, and national efforts to revitalize the agricultural sector, this innovation introduces a 3-in-1 integrated module focused on the cultivation, innovation, and marketing of the local herb known as bawing. Traditionally used to enhance the flavor and aroma of Sabah’s ethnic cuisine, bawing also holds untapped potential in the beauty, environmental, spiritual, health, and medicinal sectors. Despite its many benefits, its commercial value remains largely underrecognized by local communities. Developed under continuous research grants, the primary aim of this initiative is to foster commercial agricultural culture and empower communities through the Knowledge-Attitude-Skills-Aspiration (KASA) framework. The modules are grounded in the MPIP model, synthesizing the ADDIE and Sidek Module Development (SMDM) models as well as a survey quantitative analysis. This multi-disciplinary, community-driven innovation supports local farmers, promotes indigenous herbs, and provides versatile materials for social transformation programs. The copyrighted and published modules offer scalable, practical applications for both rural and urban contexts. They contribute significantly to the university’s research excellence and serve the broader interests of stakeholders, including policymakers and government bodies. Aligned with the university’s mission "leading towards innovative societies," the initiative supports national policies such as the Sabah Maju Jaya Development Plan (2021–2025), the Sustainable Development Goals (SDGs), and the Malaysia Madani framework. Government (linguistics) ; Excellence ; Indigenous ; SWOT analysis ; Local government ; Plan (archaeology) ; Development plan ; Certification ; Sustainable development Coconut Research and Applications ; Fisheries and Aquaculture Studies ; Indigenous Knowledge Systems and Agriculture