jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Thomas Harter | Maximilian Fuchs | E. Machado | Ingo Bernt | Ekaterina Baikova | Alexander H. Maass | Robert Schennach | Karin Zojer | Ulrich Hirn
Source: Cellulose (article, 2025-12-15)
Field: Materials Science — Biomaterials

Application of micro-CT imaging and SNOW-based partition to investigate the void volume characteristics in porous cellulose materials Abstract Tampons are widely used hygiene products, yet there remains a lack of engineering-focused research on their design and functionality. A critical factor in tampon performance is the pore structure of the material, which directly influences liquid absorption. While micro-computed tomography has provided valuable insights into overall pore volume, it falls short in accurately characterizing individual pore sizes. In this study, we employ the sub-network of an over-segmented watershed (SNOW) algorithm alongside PoreSpy to obtain a detailed pore size distribution within tampon proxy materials. Our findings reveal that tampon proxies made of trilobal cellulose viscose fibres exhibit significantly larger pores, with a 26-32% higher pore equivalent diameter (PED), than their round-fibre counterparts, despite comparable porosity, highlighting the influence of fibre geometry on expansion and liquid uptake. Although trilobal CV tampon proxies exhibit a 41% greater expanded volume and 18.7% higher absorbency compared to round fibres, their porosity increases only moderately, underscoring the need to investigate pore structure beyond bulk metrics. Kolmogorov–Smirnov distance analyses confirm that inter-fibre differences in pore structure exceed intra-sample variations, underlining the dominant role of fibre type on absorbency. While gradients along the tampon proxy length influence local pore formation, trilobal fibre tampon proxies consistently form larger pores, enhancing their liquid absorption properties. Additionally, we observe a systematic increase in pore size from top to bottom, likely influenced by one-sided liquid application and compression effects during production. These results offer a more detailed understanding of the mechanisms governing pore formation in tampon networks and provide a basis for future simulations of liquid imbibition, ultimately contributing to optimized tampon designs Porosity ; Void (composites) ; Volume (thermodynamics) ; Void ratio ; Computed tomography ; Viscose ; Porous medium Advanced Cellulose Research Studies ; Material Properties and Processing ; Polymer Foaming and Composites
Authors: Maria Irujo | Alice Gaudin | Mileidys Pérez‐Alea | Isabelle Texier
Source: Nanomedicine (review, 2025-09-04)
Field: Materials Science — Biomaterials

Advances in the application of lipid nanocapsules and nanostructured carriers in the treatment of lung cancer Lung cancer remains the leading cause of cancer-related deaths worldwide, with limited curative options, particularly in advanced stages. Lipid-based nanocarriers, including liposomes, solid lipid nanoparticles (SLNs), nanostructured lipid carriers (NLCs), and lipid nanocapsules (LNCs), have emerged as promising drug delivery platforms owing to their biocompatibility, versatility, and potential for pulmonary administration. This review highlights recent advances in lipid nanocarriers for lung cancer therapy, with a particular focus on NLCs and LNCs. We discuss key formulation strategies, including solvent-free processes and the use of FDA-approved excipients, as well as advances in drug encapsulation, combination therapies, and surface engineering. We also examine the integration of reverse micelle architectures, which enables the co-encapsulation of hydrophilic and lipophilic agents within a single nanocarrier. Despite encouraging preclinical data, clinical translation of lipid-based nanocarriers, particularly NLCs and LNCs, remains limited due to challenges in large-scale manufacturing, biodistribution variability, rapid clearance, and lack of analytical standardization. We critically examine these barriers and discuss promising solutions such as Quality-by-Design approaches, lung-on-chip models, and advanced characterization tools. Finally, we outline future directions to bridge laboratory innovation and clinical translation, emphasizing the potential of lipid nanocarriers to enhance therapeutic efficacy and patient safety in lung cancer treatment. Nanocapsules ; Lung cancer ; Nanotechnology ; Cancer ; Medicine ; Materials science ; Oncology ; Internal medicine ; Nanoparticle Nanoparticle-Based Drug Delivery ; Advancements in Transdermal Drug Delivery ; Lipid Membrane Structure and Behavior
Authors: Grzeski, Marta | Jensen, Patrick Moeller | Hempel, Benjamin-Florian | Thiele, Herbert | Lellmann, Jan | Schallenberg, Simon | Budach, Volker | Keilholz, Ulrich | Tinhofer, Ingeborg | Klein, Oliver
Source: Refubium (Universitätsbibliothek der Freien Universität Berlin) (article, 2025-01-01)
Field: Chemistry — Spectroscopy

Integrating MALDI-MSI-Based Spatial Proteomics and Machine Learning to Predict Chemoradiotherapy Outcomes in Head and Neck Cancer Head and neck squamous cell carcinoma (HNSCC) is often diagnosed at advanced stages. Due to pronounced intratumoral heterogeneity (ITH), reliable risk stratification and prediction of treatment response remain challenging. This study aimed to identify peptide signatures in HNSCC tissue that are associated with treatment outcomes in HPV-negative, advanced-stage HNSCC patients undergoing 5-fluorouracil/platinum-based chemoradiotherapy (CDDP-CRT). We integrated matrix-assisted laser desorption/ionization mass spectrometry imaging (MALDI-MSI) of tryptic peptides with univariate statistics and machine learning approaches to uncover potential prognostic patterns. Formalin-fixed, paraffin-embedded whole tumor sections from 31 treatment-naive, HPV-negative HNSCC patients were digested in situ with trypsin, and the generated peptides were analyzed using MALDI-MSI. Clinical follow-up revealed recurrence or progression (RecPro) in 20 patients, while 11 patients showed no evidence of disease (NED). Classification models were developed based on the recorded peptide profiles using both unrestricted and feature-restricted approaches, employing either the full set of m/z features or a subset of the most discriminatory m/z features, respectively. The unrestricted model achieved a balanced accuracy of 71% at the patient level (75% sensitivity, 66% specificity), whereas the feature-restricted model reached a balanced accuracy of 72%, showing increased specificity (92%) but reduced sensitivity (52%) in the CDDP-CRT cohort. In order to assess treatment specificity, models trained on the CDDP-CRT cohort were tested on an independent patient cohort treated with mitomycin C-based CRT (MMC-CRT). Neither model demonstrated prognostic performance in the MMC-CRT patient cohort, suggesting specificity for platinum-based therapy. Presented findings highlight the potential of MALDI-MSI–based proteomic profiling to identify patients at elevated risk of recurrence following CDDP-CRT. This approach may support more personalized risk assessment and treatment planning, ultimately contributing to improved therapeutic outcomes in HPV-negative HNSCC. Head and neck squamous-cell carcinoma ; Head and neck cancer ; Chemoradiotherapy ; Cohort ; Univariate analysis ; Proteomics ; Radiation therapy ; Univariate Advanced Proteomics Techniques and Applications ; Head and Neck Cancer Studies ; Mass Spectrometry Techniques and Applications
Authors: Yusi Meilany Kendek Allo | Indah Prisilia Paendong | Pujo Hari Saputro
Source: Journal of Intelligent Systems and Information Technology (article, 2025-07-16)
Field: Chemistry — Analytical Chemistry

Classification of Tomato Ripeness Levels Using Convolutional Neural Network (CNN) This research develops an image-based tomato ripeness classification system using Convolutional Neural Network (CNN). The dataset consists of 3600 tomato images classified into three classes, namely unripe, half-ripe, and ripe. These images were obtained from publicly available datasets, specifically 2,550 images from Kaggle and 1,050 images from GitHub. Before testing, a pre-processing stage is carried out which includes resizing to reduce the size of the image, cropping to focus on the main object, namely tomatoes, and augmentation to increase the generalization ability of the model. The CNN model is built with an architecture that is capable of extracting visual features automatically through the learning process. The training results for 10 epochs show that the validation accuracy reaches 99.39%, with a loss of 4.16%, indicating that the model is able to learn well without significant overfitting. These results show that CNNs perform well in accurately identifying tomato maturity, while emphasizing the possibility of further improving the model through transfer learning and optimization to handle more complex data Ripeness ; Convolutional neural network ; Artificial intelligence ; Computer science ; Pattern recognition (psychology) ; Horticulture ; Biology Spectroscopy and Chemometric Analyses
Authors: H. Ye | Rui Su | Xiaodong Ruan | Yingnan Shen | Jing Wang | Liang Hu
Source: Proceedings of the ... International Conference on Fluid Flow, Heat and Mass Transfer (article, 2025-07-01)
Field: Materials Science — Materials Chemistry

CFD Modelling for Recalcitrant Aldehyde Oxidations in VUV/UV Photoreactors This study presents a CFD model to investigate the degradation behaviour of the recalcitrant aldehyde in the VUV/UV photoreactor, with a focus on hydrodynamics, radical generation, and oxidation processes.The evaluation of photoreactor performance considers the impact of degradation and formation behaviour of primary and secondary pollutants.Results indicate a strong positive correlation between 185 nm VUV irradiance and OH radical generation.Acetaldehyde is rapidly degraded along the reactor, which has been almost completely removed by the midpoint.However, secondary organic contaminants, such as formic and acetic acids, impede complete mineralization, leading to a 24% reduction in total organic carbon at the outlet.The influence of hydrodynamics, including vortex generation and velocity profiles, on the spatial distribution of both primary and secondary contaminants is analysed, with a comparison of five RANS models.These findings provide valuable insights into optimizing reactor performance for effective contaminant degradation and mineralization. Aldehyde ; Computational fluid dynamics ; Computer science ; Environmental science ; Aerospace engineering ; Chemistry ; Engineering ; Organic chemistry ; Catalysis Catalytic Processes in Materials Science
Authors: i b | N Snehalatha
Source: International Journal of Environmental Sciences (article, 2025-06-24)
Field: Chemistry — Analytical Chemistry

Deep Ensemble Learning For Three-Stage Maturity Detection Of Indigenous Fruits Accurate identification of stages of maturity in fruits plays a critical role in agricultural quality control and post harvest management. This study proposes an automated approach based on image data for classifying fruit maturity into three categories—Unripe, Fresh, and Rotten. The system employs Convolutional Neural Networks (CNNs) trained on a selected and elevated dataset comprising multiple fruit types. We have combined predictions from three distinct models that were trained independently using ensemble method that averages their output to increase reliability. Streamlit a web based interface enables users to submit images of fruits and get the maturity classification results. Experimental findings indicate that the ensemble model achieves high accuracy, offering a minimally invasive, efficient, productive and scalable solution for fruit quality assessment in agricultural industries. Stage (stratigraphy) ; Maturity (psychological) ; Indigenous ; Ensemble learning ; Artificial intelligence ; Biology ; Computer science ; Psychology ; Ecology ; Developmental psychology ; Paleontology Spectroscopy and Chemometric Analyses ; Advanced Chemical Sensor Technologies
Authors: Karlo Grgurević | Momir Nikolić | Dajana Kučić Grgić | Vesna Ocelić Bulatović
Source: Polymers (article, 2025-12-19)
Field: Materials Science — Biomaterials

Thermal, Mechanical, and Barrier Properties of PHBV Nanocomposites via TiO2 Incorporation for Sustainable Food Packaging Poly(3-hydroxybutyrate-co-3-hydroxyvalerate) (PHBV) is a biodegradable polyester considered for food packaging, though its mechanical and barrier limitations pose challenges. This study assessed PHBV/TiO<sub>2</sub> nanocomposites for packaging applications. Differential scanning calorimetry revealed reduced crystallinity and lower melting points with an increase in TiO<sub>2</sub> content. Thermal stability improved at 1% and 3% TiO<sub>2</sub>, raising onset temperatures to 283 °C and 284 °C, respectively. Scanning electron microscopy and FTIR confirmed uniform nanoparticle dispersion without agglomeration. Tensile tests showed decreasing strength and modulus from 1% to 7% TiO<sub>2</sub>, with peak elongation at 3%, whereas viscosity behavior declined with higher nanoparticle loading. Low portions of nanoparticles (1% and 3%) induced the improvement in barrier properties against oxygen and water vapor. The highest biodegradation rate occurred at 7% TiO<sub>2</sub>. Overall, the nanocomposites' properties tend to deteriorate with the addition of higher portions of TiO<sub>2</sub>. Thus, despite some improvements, the nanocomposites did not deliver consistent, multi-property enhancements to justify use in food packaging. Key metrics like sealability and appearance were not evaluated. Future research should explore surface-treated TiO<sub>2</sub>, alternative fillers, compatibilizers, and optimized processing, alongside standardized safety assessments for food-contact applications. Differential scanning calorimetry ; Nanocomposite ; Crystallinity ; Food packaging ; Ultimate tensile strength ; Thermal stability ; Dynamic mechanical analysis ; Fourier transform infrared spectroscopy ; Scanning electron microscope biodegradable polymer synthesis and properties ; Polymer Nanocomposites and Properties ; Polymer composites and self-healing
Authors: A. V. Melnitskaya | Z. I. Krutetskaya | В. Г. Антонов | N. I. Krutetskaya | Valentina Badulina
Source: NEUROSCIENCE FOR MEDICINE AND PSYCHOLOGY (article, 2025-04-24)
Field: Chemistry — Physical and Theoretical Chemistry

PROADIFEN (SKF-525A) SUPPRESSES Na+ TRANSPORT IN FROG SKIN EPITHELIUM Frog Skin ; Epithelium ; Cell biology ; Chemistry ; Biophysics ; Biology thermodynamics and calorimetric analyses ; Chemical and Physical Studies
Authors: Himansu Kesari Pradhan | Arpan Poudel | Diksha Shrestha | Ariel Rogers | Michael Stewart | Amani Jereb | J. M. Harper | Mingyang Li | Wen Zhang | Jingyi Chen | Yong Wang
Source: The European Physical Journal E (article, 2025-09-01)
Field: Materials Science — Materials Chemistry

Concentration-dependent responses of C. reinhardtii to silver ions: hormetic response in growth and reduction of motility Elevated levels of silver in aquatic environments arising from widespread use of silver nitrate and silver nanoparticles in different sectors of industry and medicine pose significant biophysical challenges to aquatic microorganisms. Despite extensive toxicity studies of silver on bacteria and microbial communities, its influence on other aquatic microorganisms, such as microalgae, remains poorly understood. In this study, we investigated the biophysical response of C. reinhardtii microalgae to silver ion exposure in terms of their population growth dynamics, chlorophyll content, and swimming motility. We found that silver ions at different concentrations (from 0.29 to 1.18 <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:mi>μ</mml:mi></mml:math> M) elongated the lag phase of the microalgal growth. However, the growth of the microalgae was boosted by silver ions at low concentrations (e.g., 0.29 <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:mi>μ</mml:mi></mml:math> M), showing higher OD<sub>750</sub> values at the stationary phase and higher maximum growth rates. This hormetic response exhibited by microalgae upon exposure to silver ions indicates a nonlinear coupling between ionic stress and cellular growth. Additionally, we quantified the chlorophyll content in the microalgae with different concentrations of silver ions using spectrophotometric analysis, which revealed that the microalgae cells contained twice as high concentrations of chlorophyll when exposed to silver ions at lower concentrations. More importantly, we monitored the motion of microalgae in the presence of silver ions, detected and tracked their motion using a deep learning algorithm, and determined the effects of silver ions on the swimming motility of individual C. reinhardtii microalgae. Our results showed reduced average swimming speed and increased directional change of microalgae upon silver ion exposure. Hormesis ; Silver nanoparticle ; Silver nitrate ; Motility ; Chlamydomonas reinhardtii ; Chlorophyll ; Heterosigma akashiwo ; Ion ; Population ; Biofilm Nanoparticles: synthesis and applications ; Aquatic Ecosystems and Phytoplankton Dynamics ; Spaceflight effects on biology
Authors: Anton Marakulin | Polina Sidorova | S. A. Zozulya | Н. В. Кост | О. В. Долотов
Source: NEUROSCIENCE FOR MEDICINE AND PSYCHOLOGY (article, 2025-04-24)
Field: Materials Science — Biomaterials

EFFECT OF NEUROTROPIC DRUGS ON LEUCOCYTE ELASTASE ACTIVITY IN HUMAN WHOLE BLOOD CELL CULTURE Elastase ; Whole blood ; Cell culture ; Human blood ; Pharmacology ; Blood cell ; Cell ; Chemistry ; Immunology ; Medicine ; Biology ; Enzyme ; Biochemistry ; Physiology Nanoparticle-Based Drug Delivery ; Blood properties and coagulation
Authors: K. SUGA | Hayato Takahashi | Kei Terayama | Masato Sumita | Shohei Saito
Source: ChemRxiv (preprint, 2025-05-22)
Field: Chemistry — Organic Chemistry

CARBOT: A Mathematically Verified Rule-Based Molecule Generator for π-Conjugated and Aromatic Hydrocarbons π-Conjugated and aromatic hydrocarbons are foundational molecular scaffolds in materials science. Their design and discovery, however, remain limited by the lack of systematic frameworks for exploring the vast chemical space while ensuring structural validity. To address this, we present a rule-based molecular generation framework for π-conjugated and aromatic hydrocarbons. This framework defines a minimal set of chemically inspired transformation rules, each corresponding to fundamental structural modifications while preserving π-conjugation. We provide rigorous proof that the method is sound and complete, as it generates only chemically valid π-conjugated hydrocarbons and can construct all such molecules within the defined space using a finite sequence of rules. The generated structures are further analyzed in terms of size, topology, and conjugation patterns, revealing an expansive and chemically meaningful design space. This framework enables the rediscovery of any π-conjugated hydrocarbon within the defined space and offers a systematic basis for data-driven design and discovery of functional π-conjugated materials. Conjugated system ; Generator (circuit theory) ; Molecule ; Chemistry ; Computational chemistry ; Computer science ; Organic chemistry ; Physics ; Thermodynamics Inorganic and Organometallic Chemistry ; Computational Drug Discovery Methods ; Various Chemistry Research Topics
Authors: Л. М. Мосула | Kateryna Chudinovych
Source: Voprosy Khimii i Khimicheskoi Tekhnologii (article, 2025-06-01)
Field: Chemistry — Organic Chemistry

Research of physicochemical, pharmacokinetic and druglikeness parameters of a series of 5-arylidene derivatives of 3-(benzo[d]thiazol-2-ylamino)-2-thioxothiazolidin-4-one) The article presents in silico research of physicochemical, pharmacokinetic and druglikeness parameters of a series of 5-arylidene derivatives of 3-(benzo[d]thiazol-2-ylamino)-2-thioxothiazolidin-4-one. The web tool SwissADME was used for prediction of absorption, distribution, methabolism and excretion (ADME) of compounds. Based on the prediction results, it was determined that the introduction of an arylidene moiety into position 5 of the base compound with potentially high peroral availability negatively affects the passive absorption in the gastrointestinal tract. To further characterize the effect of substituents in the arylidene moiety on the manifestation of properties of this type of compounds, a structure of a new derivative of with an unsubstituted benzylidene nucleus was simulated. With the use of another in silico tool, SuperPred 3.0, it was established that the introduction of an substituent into the benzylidene moiety promotes the potential affinity of the derivatives to many therapeutic targets to a wide variety of therapeutic targets, as evidenced by their structural similarity to existing broad-spectrum drugs. A common characteristic of all the derivatives is their structural resemblance to the active components of antitumor drugs. Based on the acceptable ADME profile of the studied compounds and their high pharmacological potential, it is advisable to continue thorough studies of parenteral routes of administration or optimize the structure of the molecules to increase oral bioavailability. The obtained predictive information on the possible behavior of the derivatives in the human body can become a theoretical platform for the synthesis of de novo compounds with a polypharmacological profile. ADME ; Moiety ; Chemistry ; In silico ; Pharmacokinetics ; Substituent ; Stereochemistry ; Bioavailability ; Combinatorial chemistry ; Pharmacology ; In vitro ; Biochemistry ; Medicine Synthesis and biological activity ; Synthesis and Characterization of Heterocyclic Compounds ; Chemical synthesis and pharmacological studies
Authors: Xiao Yang | Haibo Zhao | Chunyang Wang | Yanan Shen | Z.R Song | Haisheng Chen | Ting Zhang | Xinghua Zheng
Source: Journal of Applied Physics (article, 2025-12-05)
Field: Materials Science — Materials Chemistry

A tutorial on the 3ω method for measuring thermal conductivity from macro to micro dimensions The 3ω harmonic detection method has been widely applied to develop the thermal functional materials and for the fabrication of devices in fields such as aerospace and energy conservation. It is adaptable for measuring the thermal conductivity of materials with various geometries, ranging from macroscopic to micro- and nanoscale, in both in-plane and out-of-plane directions. This tutorial introduces the measurement principles of the 3ω method and highlights important considerations for its application to different materials. Thermal conductivity ; Fabrication ; Aerospace ; Macro ; Thermal conductivity measurement ; Thermal ; Ranging ; Thermal energy Thermal properties of materials ; Thermography and Photoacoustic Techniques ; Composite Material Mechanics