jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Tonia C. Onyeka | Babayemi O. Olakunde | Otoyo Toyo | Ijeoma Uchenna Itanyi | Andy Eyo | Dina Patel | John Olajide Olawepo | Patrick Dakum | Prosper Okonkwo | Michael Obiefune | John Oko | Bolanle Oyeledun | Ayodotun Olutola | Ibrahim Bola Gobir | Oniyire Adetiloye | Nguavese Torbunde | Muyi Aina | Sidney Sampson | Hamisu M. Salihu | Joseph Olisa | Vidya Vedham | Mark Parascandola | Patti E. Gravitt | Gregory A. Aarons | Echezona E. Ezeanolue
Source: Frontiers in Health Services (article, 2025-11-11)
Field: Chemistry — Physical and Theoretical Chemistry

Closing the gap between implementation science and policy in Nigeria: lessons from the Nigeria implementation science alliance using a nominal group technique This study highlights key barriers to research-to-policy engagement in Nigeria, namely the need for structured engagement frameworks, alignment of priorities, and targeted capacity development, and proposes actionable strategies to address them. Sustainable impact will depend on dedicated financing, governance reforms, and institutional changes, supported by long-term partnerships and robust evaluation systems to advance knowledge translation and improve health outcomes. Closing (real estate) ; Corporate governance ; Alliance ; Key (lock) ; Knowledge translation ; Capacity building ; Nominal group technique History and advancements in chemistry ; Delphi Technique in Research ; Reliability and Agreement in Measurement
Authors: Ilaria Cappellacci | Nadia Di Pietrantonio | Davide Viola | Gloria Formoso | Małgorzata Elżbieta Zujko | Beatriz Martín-García | Ana María Gómez‐Caravaca | Vito Verardo | Assunta Pandolfi | Caterina Pipino
Source: Frontiers in Endocrinology (article, 2025-10-14)
Field: Chemistry — Organic Chemistry

Unveiling the anti-inflammatory potential of olive leaf phenolic extracts in diabetes-related endothelial dysfunction These findings support the anti-inflammatory activity of olive leaf polyphenols and highlight the potential of Changlot Real and Picual extracts in mitigating endothelial dysfunction associated with diabetes. By modulating the NF-kB-VCAM-1 axis, these compounds may attenuate endothelial activation, warranting further investigation into their possible role in the prevention or mitigation of diabetes-related vascular complications. Endothelial dysfunction ; Polyphenol ; Endothelium ; Endothelial stem cell ; Olea ; Oxidative stress Edible Oils Quality and Analysis ; Fatty Acid Research and Health ; Cholesterol and Lipid Metabolism
Authors: Michael Armstrong | José Camacho
Source: Journal of Chemometrics (article, 2025-01-25)
Field: Chemistry — Analytical Chemistry

An Alignment‐Agnostic Methodology for the Analysis of Designed Separations Data ABSTRACT Chemical separations data are typically analyzed in the time domain using methods that integrate the discrete elution bands. Integrating the same chemical components across several samples must account for retention time drift over the course of an entire experiment as the physical characteristics of the separation are altered through several cycles of use. Failure to consistently integrate the components within a matrix of samples and variables creates artifacts that have a profound effect on the analysis and interpretation of the data. This work presents an alternative where the raw separations data are analyzed in the frequency domain to account for the offset of the chromatographic peaks as a matrix of complex Fourier coefficients. We present a generalization of the factorization, permutation testing, and visualization steps in ANOVA‐simultaneous component analysis (ASCA) to handle complex matrices and use this method to analyze a synthetic dataset with known significant factors and compare the interpretation of a real dataset via its peak table and frequency domain representations. Computer science ; Data mining Spectroscopy and Chemometric Analyses ; Fault Detection and Control Systems ; Neural Networks and Applications
Authors: A. Giraldo | Mehdi Rahimi | Woonghee Lee
Source: Preprints.org (preprint, 2025-04-30)
Field: Chemistry — Spectroscopy

Automated Chemical Shift Assignments of MAS Solid-State NMR Spectra of Complex Protein Systems by ssPINE/ssPINE-POKY Solid-state Nuclear Magnetic Resonance (ssNMR) spectroscopy enables studying complex macromolecules with low solubility. Compared to solution NMR, few tools exist for biomacromolecule-ssNMR data analysis. A key challenge is assigning spin systems due to low peak dispersion. Broad peaks from large quadrupolar couplings and shift anisotropy cause significant overlap and missing peaks. To address this, we introduce ssPINE-POKY, a user-friendly graphical user interface (GUI) integrated into the POKY suite. ssPINE-POKY streamlines the automation of spin system recognition and chemical shift assignment in multidimensional ssNMR spectra by integrating the ssPINE algorithm within an intuitive interface. The platform allows easy and fast job submission, real-time result visualization, and enhanced analysis through additional built-in tools, significantly improving the efficiency of ssNMR data interpretation. Chemical shift ; Spectral line ; Chemistry ; Solid-state nuclear magnetic resonance ; NMR spectra database ; Solid-state ; Physical chemistry ; Nuclear magnetic resonance ; Physics Advanced NMR Techniques and Applications ; Enzyme Structure and Function ; Protein Structure and Dynamics
Authors: Francesco De Anna | Anja Schlömerkemper | Arghir Zarnescu
Source: Proceedings of the Royal Society A Mathematical Physical and Engineering Sciences (article, 2025-02-01)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Colloidal homogenization for the hydrodynamics of nematic liquid crystals This paper analytically explores a simplified model for the hydrodynamics of nematic liquid crystal colloids. We integrate a Stokes equation for the velocity field with a Ginzburg–Landau transported heat flow for the director field. The study focuses on a bounded spatial domain containing periodically distributed colloidal particles with no-anchoring conditions on the nematic liquid crystal. By progressively reducing the particle size to zero and simultaneously increasing the number of particles, we delve into the associated homogenization problem. Our analysis uncovers a form of decoupling where the velocity field asymptotically satisfies a Darcy equation, independent of the director, while the director follows a gradient flow, unaffected by the velocity field. One of the most intricate aspects of the homogenization process is the absence of an extension operator for the director field that preserves the uniform estimates related to the system’s energy. We address this challenge with a novel variation of the Aubin–Lions lemma, specifically adapted for homogenization problems. Liquid crystal ; Homogenization (climate) ; Colloid ; Colloidal particle ; Materials science ; Chemistry ; Physical chemistry ; Optoelectronics Liquid Crystal Research Advancements ; Surfactants and Colloidal Systems ; Pickering emulsions and particle stabilization
Authors: Judith Gal‐Ezer | Doron Zohar | Anat ROLNIK
Source: OLYMPIADS IN INFORMATICS (article, 2025-01-01)
Field: Chemistry — Physical and Theoretical Chemistry

International Science Olympiads: The Israeli Teams The International Olympiads (IOs) caters to exceptional students worldwide. Israel, for example, in 2023, competed in nine out of 14 IOs, including five in the sciences. Students participating in the Olympiads must possess a high level of knowledge and a broad understanding of their subject area, along with the ability to tackle complex problems, synthesize knowledge, and develop creative solutions. Ministries of Education as well as academic institutions and policy makers see the Olympiads as a vehicle of developing the social conditions and economics of their country, consequently, they encourage talented students by providing financial support for training programs, travel, and accommodation. In this paper, we provide an overview of the science IOs: the International Mathematical Olympiad (IMO), the International Physics Olympiad (IPhO), the International Chemistry Olympiad (IChO), and the International Biology Olympiad (IBO), with a particular focus on the International Olympiad in Informatics (IOI). We describe the organizational structure, student training process, and ranking system, while highlighting the participation and achievements of Israeli delegations. Keywords: International Olympiads; International Science Olympiads; Israeli National Teams. Olympiad ; Political science ; Mathematics education ; Public relations ; Mathematics Various Chemistry Research Topics ; Genetics, Bioinformatics, and Biomedical Research ; Science and Science Education
Authors: Yingtao Zhang | Shuqing Wei | Wuxin Yang | Jiajian Guan | Gong Li
Source: Materials (article, 2025-08-06)
Field: Materials Science — Materials Chemistry

Study on the Wear Performance of 20CrMnTi Gear Steel with Different Penetration Gradient Positions This study investigates the wear performance of 20CrMnTi steel, a commonly used material for spiral bevel gears, after heat treatment, with a focus on the microstructural evolution and wear behavior in both the surface and gradient direction of the carburized layer. The results show that the microstructure composition in the gradient direction of the carburized layer gradually transitions from martensite and residual austenite to a martensite-bainite mixed structure, and eventually transforms to fully bainitic in the matrix. With the extension of carburizing time, both the effective carburized layer depth and the hardened layer depth significantly increase. Wear track morphology analysis reveals that the wear track depth gradually becomes shallower and narrower, and the wear rate increases significantly with increasing load. However, the friction coefficient shows little sensitivity to changes in carburizing time and load. Further investigations show that as the carburized layer depth increases, the carbon concentration and hardness of the samples gradually decrease, resulting in an increase in the average wear rate and a progressive worsening of wear severity. After the wear tests, different depths of plowing grooves, spalling, and fish-scale-like features were observed in the wear regions. Additionally, with the increase in load and carburized layer depth, both the width and depth of the wear tracks significantly increased. The research results provide a theoretical basis for optimizing the surface carburizing process of 20CrMnTi steel and improving its wear resistance. Carburizing ; Materials science ; Spall ; Metallurgy ; Austenite ; Martensite ; Bainite ; Carbonitriding ; Composite material ; Microstructure ; Layer (electronics) Metal Alloys Wear and Properties ; Advanced machining processes and optimization ; Gear and Bearing Dynamics Analysis
Authors: Beatriz Quintanilla‐Casas | Jesper Løve Hinrich | Paul‐Albert Schneide | Rasmus Bro
Source: Chemometrics and Intelligent Laboratory Systems (article, 2025-11-20)
Field: Chemistry — Spectroscopy

Automated correction of saturated peaks in untargeted GC-MS: a chemometric approach Gas chromatography (GC) coupled with mass spectrometry (MS) is a widely utilized analytical technique in various research fields, such as food and environmental science to generate untargeted profiles of volatile organic compounds (VOCs). These profiles often contain numerous compounds with diverse functional groups, present in a wide range of concentrations. Despite the multiple advantages of this technique, highly concentrated compounds can lead to problems such as MS detector saturation. This results in a distorted signal and a loss of accurate quantitative information, as the peak area of the saturated ion (m/z) is no longer a reliable estimate of a compound's abundance in a sample. Although detector saturation is a common challenge in chromatography, no robust solution has been developed to effectively address it. Therefore, this study proposes an automated method to detect and correct saturated m/z signals in untargeted GC-MS data, enabling accurate quantification and identification of highly concentrated VOCs. Our approach leverages the fact that saturation in fact manifests as right-censored data in specific masses (m/z), allowing automatic detection and unbiased modelling using tensor decomposition, namely parallel factor analysis 2 (PARAFAC2) models, combined with expectation-maximization imputation to restore saturated m/z values. Detector ; Mass spectrometry ; Saturation (graph theory) ; Range (aeronautics) ; Identification (biology) ; Analytical technique ; Chemometrics Analytical Chemistry and Chromatography ; Metabolomics and Mass Spectrometry Studies ; Advanced Chemical Sensor Technologies
Authors: Xiaoqi Wang | Liu Guanfeng
Source: Journal of Engineering Research and Reports (article, 2025-01-23)
Field: Materials Science — Polymers and Plastics

Effect of Using Plant Fiber on The Properties of Concrete With light weight, wide sources, low cost and renewable, plant fiber concrete has become the preferred green building materials. This paper reviews the research status of bamboo fiber, flax, hemp, jute, ramie and other high-strength plant fibers, and discusses their basic properties and defects, such as strength, interface bonding, thermal insulation, as well as fiber corrosion, adhesion, water absorption and workability. In view of these, the strategies of pretreatment, use of mineral admixtures, optimization of bonding materials and improvement of mixing process are put forward. The results show that reasonable improvement measures can significantly improve the performance of plant fiber concrete. This paper provides theoretical and technical support for the application of plant fiber concrete, and looks forward to its wide application prospect in the field of civil engineering. Fiber ; Materials science ; Composite material Natural Fiber Reinforced Composites
Authors: Devin K. Schweppe | Brian J. Beliveau | Andrew N. Hoofnagle
Source: JAMA (article, 2025-01-30)
Field: Chemistry — Spectroscopy

Molecular Phenotyping With Proteomics This JAMA Insights explores the capability of proteomics to analyze thousands of proteins in patient samples, which could improve clinicians’ understanding of and ability to treat a wide range of diseases. Medicine ; Proteomics ; Computational biology ; Bioinformatics ; Data science ; Genetics Advanced Proteomics Techniques and Applications ; Genetics, Bioinformatics, and Biomedical Research ; Bioinformatics and Genomic Networks
Authors: Sebastian Falkner | Alessandro Coretti | Baron Peters | Peter G. Bolhuis | Christoph Dellago
Source: The Journal of Chemical Physics (article, 2025-07-15)
Field: Chemistry — Spectroscopy

Revisiting shooting point Monte Carlo methods for transition path sampling Rare event sampling algorithms are essential for understanding processes that occur infrequently on the molecular scale, yet they are important for the long-time dynamics of complex molecular systems. One of these algorithms, transition path sampling (TPS), has become a standard technique to study such rare processes since no prior knowledge on the transition region is required. Most TPS methods generate new trajectories from old trajectories by selecting a point along the old trajectory, modifying its momentum in some way, and then "shooting" a new trajectory by integrating forward and backward in time. In some procedures, the shooting point is selected independently for each trial move, but in others, the shooting point evolves from one path to the next so that successive shooting points are related to each other. To account for this memory effect, we introduce a theoretical framework based on an extended ensemble that includes both paths and shooting indices. We derive appropriate acceptance rules for various path sampling algorithms in this extended formalism, ensuring the correct sampling of the transition path ensemble. Our framework reveals the need for amended acceptance criteria in the flexible-length aimless shooting and spring shooting methods. Path (computing) ; Monte Carlo method ; Computer science ; Sampling (signal processing) ; Importance sampling ; Trajectory ; Point (geometry) ; Trouble shooting ; Formalism (music) ; Rare events ; Algorithm ; Shooting method ; Mathematical optimization ; Mathematics ; Statistics ; Physics ; Computer vision Mass Spectrometry Techniques and Applications ; Advanced Chemical Physics Studies ; Spectroscopy and Quantum Chemical Studies
Authors: Ljubica Vlaović | Clarisse Lemonnier | Benjamin Alric | Frédéric Rimet | Miloš Ćirić | Srđan Miletić | Željka Milovanović | Vladimir L. Petrović | Danijela Vidaković
Source: Frontiers in Ecology and Evolution (article, 2025-09-29)
Field: Materials Science — Biomaterials

Diatom metabarcoding vs. morphology in monitoring freshwater and saline lakes in Serbia Introduction Diatoms are among the most widely used indicators for assessing ecological conditions in aquatic habitats, yet traditional microscopy remains time-consuming and taxonomically demanding. This study explores the potential of rbcL-based DNA metabarcoding as an alternative or complement to morphological analysis for monitoring both freshwater and saline lakes. Methods We investigated diatom assemblages in two artificial freshwater lakes and two inland saline lakes in Serbia by comparing species composition, diversity, and ecological index performance across both methods. Results and discussion A total of 227 taxa were detected by metabarcoding and 212 by microscopy, with both approaches consistently showing higher richness and Shannon diversity in freshwater than in saline lakes. Redundancy analysis revealed conductivity and salinity as the main drivers of community structure, clearly separating freshwater from saline systems, while co-inertia analysis demonstrated strong agreement between the two methods. In freshwater lakes, diatom index values derived from microscopy and metabarcoding showed partial to good agreement, with IPS and IBD emerging as the most consistent and reliable indices across methods. The DISP and TBI indices, initially developed for soda lakes, were applied here for the first time using metabarcoding data. However, their application was limited by incomplete reference databases, missing trait assignments, and lower taxonomic coverage, reducing the reliability of index-based evaluations in these habitats. Overall, while metabarcoding demonstrated strong potential --particularly in freshwater systems --a combined morphological and molecular approach offers a more comprehensive and reliable assessment across complex environments like inland saline lakes. This study contributes new sequence data to open-access diat.barcode databases, supporting the wider adoption of DNA-based tools in aquatic biomonitoring. Diatom ; Salinity ; Species richness ; Community structure ; Freshwater ecosystem ; Biodiversity ; Saline water ; Dominance (genetics) ; Aquatic ecosystem Diatoms and Algae Research ; Environmental DNA in Biodiversity Studies ; Aquatic Ecosystems and Phytoplankton Dynamics
Authors: Luis Mauricio Ortiz-Galvez | Blanca Suárez-Merino
Source: Mundo Nano Revista Interdisciplinaria en Nanociencia y Nanotecnología (article, 2025-10-28)
Field: Materials Science — Materials Chemistry

Engineered nanomaterials in the global regulatory arena and Mexico’s regulatory path Engineered nanomaterials (ENMs) exhibit novel properties that offer significant benefits across various industrial sectors and are increasingly present in consumer products worldwide. However, safety assessments have predominantly focused on specific regions, such as the European Union (EU), leaving potential human and environmental risks in other areas insufficiently understood. The absence of a globally harmonized regulatory framework further complicates risk management, due to data variability, uncertainty, and the complexity of ENMs. In response, some countries have developed diverse tools and methodologies to address these regulatory challenges. This article presents an overview of current safety assessment methodologies and reviews international regulatory approaches for ENMs. It also proposes general recommendations for initiating a regulatory framework in Mexico, informed by existing scholarly insights. The aim is to support the development of locally relevant strategies that align with international best practices. European union ; Regulatory science ; Risk assessment ; Consumer safety ; Path (computing) ; Risk management Nanoparticles: synthesis and applications ; Effects and risks of endocrine disrupting chemicals ; Melamine detection and toxicity
Authors: Xiaozan Lyu | Haiyan Chen | Jialin Jin | Huatao Yuan | Jing Dong | Yunni Gao | Xiaofei Gao | Jingxiao Zhang | Xuejun Li
Source: Frontiers in Microbiology (article, 2025-10-31)
Field: Materials Science — Biomaterials

Diversity, functional traits and assembly processes of diatom community in the aquatic-terrestrial ecotone: a case study of Danjiangkou Reservoir, China Soil diatoms are essential components of microalgae communities in aquatic-terrestrial ecotones, contributing to primary production, organic matter production, nutrient cycling, and ecosystem stability. However, the functional traits and community assembly processes of diatoms in these ecotones remain poorly understood. This study used 18S rDNA high-throughput sequencing and functional trait analysis to investigate the dynamics, driving factors, and assembly processes of diatom communities in the aquatic-terrestrial ecotone of the Danjiangkou Reservoir. Significant differences in diatom diversity and composition were observed between waterward (frequently submerged) and landward zones (exposed to alternating wet and dry conditions). Functional traits revealed that larger, highly motile species dominated waterward communities, while smaller, less motile taxa were prevalent in landward zones. Total phosphorus (TP), soil organic matter (SOM), and magnesium (Mg<sup>2+</sup>) were key environmental drivers of taxonomic and functional traits. Community assembly in both zones was primarily driven by random processes; however, deterministic processes, particularly heterogeneous selection, had a stronger influence in the landward zone, reflecting significant environmental filtering. These findings enhance understanding of biodiversity and community assembly in aquatic-terrestrial ecotones and provide valuable insights into their ecological dynamics. Ecotone ; Diatom ; Ecosystem ; Biodiversity ; Community structure ; Organic matter ; Community ; Functional diversity Diatoms and Algae Research ; Aquatic Ecosystems and Phytoplankton Dynamics ; Marine and coastal ecosystems