jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: S. Yu. Bogdan | D.V. Bogdan
Source: Problems of Friction and Wear (article, 2025-06-17)
Field: Materials Science — General Materials Science

ANALYSIS OF FIBER-REINFORCED ELEMENTS FROM COMPOSITE MATERIALS The limit state of two polymer layered composite elements was studied using a numerical-analytical method, employing the finite element method during their deformation, damage, and failure. Stress intensity factors for normal separation were determined for developed complex-shaped models with initial imperfections in the form of cracks, simulating defects in the composite structure. A comparative analysis of the obtained calculated values of critical load with the experimental studies and adaptation of the developed methodology were conducted. Composite number ; Fiber ; Composite material ; Materials science ; Fiber-reinforced composite ; Structural engineering ; Engineering Material Properties and Applications
Authors: Andra Tersiana Wati | Riana Listanti
Source: BIO Web of Conferences (article, 2025-01-01)
Field: Chemistry — Analytical Chemistry

Bibliometric Analysis of NIR Spectroscopy Studies on the Extraction of Various Fruit Peels Fruit peels contain many bioactive components, such as polyphenols and flavonoids, which benefit the food sector. Extraction is one processing technology that can be further developed. This study aims to conduct a bibliometric analysis of the interaction between Near-Infrared (NIR) waves and solvent-extracted molecules for characterizing the quality of various fruit peels. The bibliometric analysis method is used to identify research trends, collaboration patterns, and the impact of scientific works in this field. Bibliometric data was collected from scientific databases over the past 10 years. The analysis results show six clusters with 6,237 links and a total link strength of 14,633. Near-infrared spectroscopy is the most frequently occurring keyword and is associated with other keywords, with a total of 292 occurrences, 205 links, and a total link strength of 2,460. The visualization of bibliometric analysis results in the form of a VOSviewer map reveals several important findings related to research trends in the interaction of NIR waves with solvent-extracted molecules for characterizing the quality of various fruit peels. Additional practical applications and future research directions are also discussed. Extraction (chemistry) ; Spectroscopy ; Environmental science ; Materials science ; Chemistry ; Chromatography ; Physics Spectroscopy and Chemometric Analyses ; Phytochemicals and Antioxidant Activities ; Bee Products Chemical Analysis
Authors: Ahmad Lutfi | Tanja Holstein | Sandro Andreotti | Thilo Muth
Source: bioRxiv (Cold Spring Harbor Laboratory) (preprint, 2025-04-19)
Field: Chemistry — Spectroscopy

MegaPX: fast and space-efficient peptide assignment method using IBF-based multi-indexing Abstract Motivation A central problem for metaproteomic analysis is the often-unknown taxonomic composition of the analyzed microbiomes. Using a database search, the standard approach requires prior knowledge of which proteins and taxa to include in the protein reference database or to use tailored metagenome-derived databases, which are expensive and error-prone in their generation. A possible strategy to circumvent this database search issue is de novo sequencing, where peptide sequences are directly identified from mass spectra. However, these sequences must still be mapped back to potentially extensive databases. Here, alignment-based approaches enable robust and precise results, with the potential drawback of high memory usage and long run times. Results We present MegaPX, a software for rapidly classifying de novo peptide sequences against large protein databases. MegaPX implemented as a C++-based tool, uses an alignment-free, k -mer-based approach as a taxonomic classification method with the possibility of generating mutated reference databases for error-tolerant searching. It uses various algorithms, including interleaved Bloom filters, to efficiently compute approximate membership queries, ensuring fast processing times while querying and indexing large databases in a multi-indexing fashion. We demonstrate the potential of MegaPX by analyzing different samples, including metaproteomics, against extensive reference databases, highlighting its use as a fast screening tool. Availability and implementation MegaPX’s source code and all related documentation files are freely available in a GitHub repository ( https://github.com/rki-mf2/MegaPX ) under the MIT License. Contact MuthT@rki.de Supplementary information All supplementary tables and figures are included at the end of the preprint. Search engine indexing ; Computer science ; Space (punctuation) ; Peptide ; Parallel computing ; Chemistry ; Information retrieval ; Operating system ; Biochemistry Advanced Proteomics Techniques and Applications ; Machine Learning in Bioinformatics ; Glycosylation and Glycoproteins Research
Authors: Matteo Zorzetto | Riccardo Torchio | Francesco Lucchini | Paolo Di Barba | Maria Evelina Mognaschi | Michele Forzan | Fabrizio Dughiero
Source:  (preprint, 2025-10-06)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Machine Learning-based Reduced Order Modeling of Nonlinear and Multipysics Magnetic Devices Induction heating processes involve complex multiphysical interactions between electromagnetic and thermal models, often characterized by nonlinear materials. The finite element method is a common approach to tackling such problems, but its computatio Nonlinear system ; Finite element method ; Thermal ; Control theory (sociology) ; Induction heating ; Work (physics) Magnetic Properties and Applications ; Electric Motor Design and Analysis ; Neural Networks and Applications
Authors: Kaouther Ghachem | Fahim Ullah Khan | Imen Safra | Hind Albalawi | Badr M. Alshammari | Lioua Kolsi
Source: Thermal Science (article, 2025-01-01)
Field: Materials Science — Materials Chemistry

Thermal applications of carbon nanotubes (SWCNTs-MWCNTs) due to accelerating plate with ramped temperature conditions: Advanced fractional simulations The fractional models have emerged as powerful tools for analyzing the behavior of complex systems with applications of memory effects, nonlocality and hereditary consequences. The fractional models offer excellent accuracy between experimental and theoretical results across different physical, thermal, industrial and biological problems. In current analysis, a fractional model has been developed for analyzing the thermal impact of hybrid nanofluid with enhanced heat transfer features. A suspension of water and human blood with carbon nanotubes has been considered. The thermal discretization of hybrid model is attributed with utilization of single wall carbon nanotubes (SWCNT) and multi wall carbon nanotubes (MWCNTs). An accelerating porous plate induces the flow. The problem is further updated by utilizing the magnetic force effects, porosity medium and ramped temperature constraints. Ramped thermal constraints at different time instant are considered. The fractional simulations are performed with help of Prabhakar fractional approach. Comparative thermal results for SWCNT-MWCNT/blood and SWCNT-MWCNT/H2O have been prepared. The physical insight of parameters in fluctuating the heat transfer rate is observed. The comparative outcomes reveal that water-based CNTs demonstrate a stronger thermal response than blood-based suspension. It has been observed that Grashof number plays effective role in enhancing the heat transfer impact. Presence of porous medium increase the thermal profile, justifying applications in petroleum engineering and soil sciences. The claimed results present novel applications in heat transfer systems, extrusion processes, energy-efficient chemical engineering operations, heat transfer devices, extrusion processes, energy growth, solar systems, chemical processes, fission reactions etc. Carbon nanotube ; Heat transfer ; Nanofluid ; Grashof number ; Thermal ; Porous medium ; Porosity ; Fractional calculus Carbon Nanotubes in Composites
Authors: Mikko Virtanen | Elina Koskinen | Juha Lehtonen | Sanna Makela
Source: International Journal of Pharmacology and Pharmaceutical Research (article, 2025-01-01)
Field: Materials Science — Biomaterials

Innovations in targeted drug delivery systems for cancer treatment The paradox at the heart of modern cancer chemotherapy is that drugs designed to destroy malignant cells demonstrate a remarkable and often devastating inability to distinguish those cells from healthy tissue, a fundamental limitation that has persisted for over seven decades despite enormous investments in oncological drug development. This multicenter retrospective analytical research critically evaluated the comparative efficacy and safety of six targeted drug delivery system platforms across 412 cancer patients treated at two Finnish university hospitals between May 2020 and February 2022. The cohort encompassed seven major cancer types, with breast cancer (24.8%), colorectal cancer (18.6%), and non-small cell lung cancer (16.4%) representing the three most prevalent diagnoses in the research population. Pie chart analysis revealed that liposomal nanocarriers (28.4%) and polymeric nanoparticles (22.6%) dominated the clinical delivery system landscape, followed by antibody-drug conjugates (18.2%) and mesoporous silica nanoparticles (12.4%), with gold nanoparticles and dendrimers comprising the remaining 14.8%. Grouped bar chart analysis of tumor volume reduction demonstrated that antibody-drug conjugates achieved the highest efficacy at the eight-week assessment (78.4% mean tumor volume reduction), closely followed by liposomal nanocarriers (74.6%), while conventional free drug controls achieved only 22.8% reduction over the identical observation period, confirming the substantial therapeutic advantage of targeted approaches. Targeted delivery systems reduced adverse event incidence by 48 to 62 percent across all six organ system toxicity categories compared with conventional chemotherapy, with hematologic toxicity declining from 42.6% to 18.4% and hepatic toxicity from 22.4% to 8.6%, representing clinically meaningful improvements in treatment tolerability. Multivariate logistic regression analysis identified delivery system type, cancer stage at diagnosis, and tumor molecular subtype as independent predictors of treatment response magnitude. Despite these substantial advances, this research identifies persistent critical limitations including inadequate tumor penetration in solid malignancies exceeding 4 centimeters in diameter, premature drug release during systemic circulation reducing effective tumor drug concentrations, and manufacturing scalability barriers that collectively prevent these innovative platforms from achieving their full therapeutic potential in routine oncological practice. Nanocarriers ; Drug delivery ; Cancer ; Adverse effect ; Colorectal cancer ; Chemotherapy ; Drug ; Lung cancer Nanoparticle-Based Drug Delivery ; Dendrimers and Hyperbranched Polymers ; Cancer Research and Treatment
Authors: Zhenlei Chen
Source: SIAM Undergraduate Research Online (article, 2025-01-01)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Inverse Design of a Layered Medium for Maximal Surface Localization Electromagnetic wave manipulation plays a crucial role in advancing technology across various domains, including photonic device design.This study presents an inverse design approach for a periodic medium that optimizes electromagnetic wave localization at the interface between a layered half-space and a homogeneous half-space.The approach finds a maximally localized mode at a specified frequency and wave number.The mode propagates in the direction of the interface.The design parameters are the permittivity of the layered medium, their relative thicknesses, and the permittivity of the homogeneous half-space.We analyze the problem using the transfer matrix method and apply the particle swarm optimization to find a rapidly decaying mode that satisfies the design constraints.The design process is demonstrated in a numerical example, which serves to illustrate the efficacy of the proposed method. Inverse ; Permittivity ; Particle swarm optimization ; Transfer matrix ; Homogeneous ; Matrix (chemical analysis) ; Electromagnetic radiation ; Mode (computer interface) ; Transfer-matrix method (optics) Metamaterials and Metasurfaces Applications ; Electromagnetic Scattering and Analysis ; Numerical methods in inverse problems
Authors: Ahmed, Bayan Hazim | Albeyboni, Dereen Dereen | Hussain, Ramadhan Omer
Source: passer (article, 2025-08-20)
Field: Chemistry — Analytical Chemistry

Phytoextraction of Pb and Cd by Catalpa bignonioides in Crude Oil-Contaminated Soil Soil contamination by heavy metals and petroleum hydrocarbons has become a serious issue threatening the environment and human health, necessitating effective remediation approaches. This study investigated the phytoextraction potential of Catalpa bignonioides seedlings (1- and 2-years-old) for lead (Pb) and cadmium (Cd) in soils contaminated with 1% and 2% crude oil. The aim was to assess the capability of plants in extracting these heavy metals from polluted soils. Results showed that both crude oil concentrations significantly eliminated both biomass and chlorophyll of plants compared to the control. Pb and Cd concentrations in contaminated soils were higher than in oil-free soils but remained within the acceptable limits set by WHO/FAO (2007). In the control soil, Pb concentrations were 2.290 (mg·kg⁻¹ in roots) and 1.957 (mg·kg⁻¹ in shoots), while in the 2% crude oil soil, they increased to 2.493 (mg·kg⁻¹ in roots) and 2.467 (mg·kg⁻¹ in shoots). The highest Cd concentrations 6.535 (mg·kg⁻¹ in roots), 2.904 (mg·kg⁻¹ in shoots) were found in 2% crude oil-treated plants. TF values for Pb approached or reached 1 in 2-year-old seedlings, while for Cd were consistently below 1. Pb exhibited higher BAF values overall (3.601–4.400), whereas the bioaccumulation factor (BAF) for Cd exceeded 1 only in 2-year-old plants. Overall, older plants removed significantly greater amounts of Pb and Cd, suggesting Catalpa bignonioides is promising for remediating crude oil-polluted soils. Phytoremediation ; Cadmium ; Environmental remediation ; Bioaccumulation ; Soil contamination ; Crude oil ; Soil water ; Contamination Heavy Metals in Plants
Authors: Brady R. T. Roberts | Sophia Tran | Myra A. Fernandes
Source: Scientific Reports (article, 2025-02-04)
Field: Chemistry — Physical and Theoretical Chemistry

Symbolism itself does not improve memory for elements on the periodic table Recent work demonstrates that symbols (e.g., $) are reliably better remembered than their word counterparts (e.g., 'dollar'). It remains an open question whether the memory benefit observed for symbols is due to their unique visual form, or because they offer a symbolic representation of to-be-remembered information. Here, we assessed memory for symbols on the periodic table of elements, which could be presented in symbol format (e.g., H) or word format (e.g., Hydrogen), and compared both to memory for meaningless letters (e.g., J). These stimuli were selected because they all share the same visual features and the former two share the same meaning. Memory was compared across individuals with and without a background in chemistry. In non-experts, memory was highest for words relative to symbols and meaningless letters. In experts (students who had passed an introductory chemistry course), however, memory for words and symbols was equivalent, with both higher than for meaningless letters. Results suggest that prior knowledge of what a symbol means is necessary to gain a memory benefit over semantically-void information, but is not enough to boost memory relative to words. We suggest that using a concrete visual symbol to represent an abstract concept is not enough to confer a memory advantage relative to words; a meaningful and visually distinctive symbol may be necessary. Table (database) ; Computer science ; Data science ; Information retrieval ; Data mining History and advancements in chemistry
Authors: Induja Govindan | Anjana A. Kailas | A.N.M. Rezaul Haq Ka . | Thamizharasan Annadurai | Anup Naha
Source: International Journal of Applied Pharmaceutics (article, 2025-09-07)
Field: Chemistry — Analytical Chemistry

HPLC-BASED BIOANALYTICAL METHOD DEVELOPMENT AND VALIDATION FOR THE ESTIMATION OF POSACONAZOLE IN SPIKED RAT PLASMA Objective: Posaconazole (PSC), a highly effective broad-spectrum triazole antifungal, is widely used to treat invasive fungal infections. Accurate and consistent quantification of PSC in biological matrices, such as plasma, is vital for supporting pharmacokinetic and therapeutic drug monitoring studies. To develop and validate a sensitive, robust, and sustainable bioanalytical HPLC method for the quantification of posaconazole in plasma. Methods: The method utilises a simple protein precipitation technique for sample preparation, avoiding more hazardous or solvent-intensive procedures. Chromatographic separation was achieved using an isocratic elution with a mobile phase composed of acetonitrile and water acidified with 0.5% acetic acid (44:56), delivered at a flow rate of 0.7 ml/min. Unlike most reported methods that use phosphate buffers, this method employs water acidified with 0.5% v/v of acetic acid, enhances environmental compatibility and avoids buffer salt disposal and system fouling issues. Detection was performed at 262 nm using a Shimadzu LC-2010CHT system with a dual-wavelength UV detector and a photodiode array (SPD-M20A, Prominence series). Results: The method exhibited excellent linearity over the 0.25–32 µg/ml range (r² = 0.9999). Intra and inter-day precision and accuracy complied with ICH M10 bioanalytical validation guidelines, with %RSD values below 2% and recoveries ranging from 97.7±0.07 to 101.12±0.03%. Stability under all relevant conditions was confirmed. Environmental sustainability was evaluated using AGREE and GAPI tools, an approach not previously applied to posaconazole bioanalysis, highlighting its novelty and sustainable design for routine use. Conclusion: A validated bioanalytical HPLC method for posaconazole quantification in plasma was successfully developed, is suitable for routine pharmacokinetic and therapeutic drug monitoring applications. Bioanalysis ; Protein precipitation ; Posaconazole ; Therapeutic drug monitoring ; Pharmacokinetics ; High-performance liquid chromatography ; Sample preparation ; Acetic acid Analytical Methods in Pharmaceuticals ; Antibiotics Pharmacokinetics and Efficacy ; Analytical Chemistry and Chromatography
Authors: K. Ramanaiah | Hari Sankar Palla | K.S. Mohan
Source: Journal of Composites and Biodegradable Polymers (article, 2025-12-19)
Field: Materials Science — Polymers and Plastics

Influence of Environment Aging on the Thermal Insulation of Sustainable Ecofriendly Composites In recent years, researchers are increasingly emphasized the development of sustainable biodegradable composites to minimize environmental impact and broaden their potential in engineering fields. This study investigates the influence of environmental aging including, exposer to tap water, sea water and aqueous (NaOH) solutions, on the thermal insulation behavior of sansevieria /PLA-based biodegradable composites. The water uptake characteristics and diffusion coefficients were determined and analyzed to understand their effects on material performance. Results revealed a significant rise in thermal conductivity after moisture absorption, indicating a decline in insulation performance. the percentage increase in thermal conductivity of S4 in tap water, sea water and aqueous solution compared to dry state are 112.69, 156.03 and 189.36, respectively. The mechanisms responsible for the deterioration of thermal insulation due to water penetration are examined, providing insights in to the durability and environmental stability of these insulation materials. Durability ; Thermal conductivity ; Tap water ; Moisture ; Thermal insulation ; Penetration (warfare) ; Thermal stability ; Water content Natural Fiber Reinforced Composites ; Hygrothermal properties of building materials ; Polymer composites and self-healing
Authors: Giulia Pascoletti | Talal Bin Irshad | Giuliana Baiamonte | Giordano Franceschini | Elisabetta M. Zanetti | Michele Calì
Source: International Journal of Online and Biomedical Engineering (iJOE) (article, 2025-06-03)
Field: Materials Science — Polymers and Plastics

Development of an Advanced 4D Foot Shape Model from Multiple Acquisitions at Different Flexion Angles A major challenge in constructing models of the human body or body parts stems from the fact that they are actually composed of several solid bodies articulated together. Consequently, 3D models must be parameterised with reference to joint angles: scans of the foot taken at different plantar/dorsal flexion angles were used in this study as a benchmark. The implemented methodology was based on the regression fitting of landmark trajectories obtained on a limited number of foot poses; these same landmarks were then used to guide 3D mesh morphing to predict foot geometry at different plantar/dorsal flexion angles. A careful optimisation of the methodology was performed to identify the optimal set of foot scans. The comparison between the actual foot shapes obtained by 3D laser scanning and the predicted shapes showed that the average error is at most 6.57 ± 2.74 mm. The methodology indications were finally drawn based on these error estimates. Further works will consider combined motions including flexion/extension, internal/external rotation, and foot inversion/eversion. Foot (prosody) ; Geology ; Orthodontics ; Physical medicine and rehabilitation ; Computer science ; Medicine ; Art Textile materials and evaluations ; Diabetic Foot Ulcer Assessment and Management