jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Diana A. Barrera Adame | Yasmina Marín-Felix | Ana Kristin Wegener | Michael Lalk | Marc Stadler | Timo H. J. Niedermeyer
Source: IMA Fungus (article, 2025-02-17)
Field: Materials Science — Biomaterials

Bulbillosins A - E, azaphilones from Tengochaeta bulbillosa sp. nov. (Chaetomiaceae), a root endophyte of the Chinese medicinal plant Aster tataricus <i>Astertataricus</i> is a plant used in Traditional Chinese Medicine. From its roots, we isolated four endophytic fungi strains. After mass spectrometry analysis and subsequent molecular networking and dereplication, one of the strain's extracts showed a cluster of yet undescribed natural products. Additionally, the extract was found to be lethal for the nematode <i>Caenorhabditiselegans</i> and cytotoxic against eukaryotic cell lines. The fungal strain was characterized by morphological and molecular studies, allowing its description as a new species in the genus Tengochaeta (Chaetomiaceae), <i>Tengochaetabulbillosa</i>. After cultivation and extraction of the strain, the major secondary metabolites were isolated. Structure elucidation based on nuclear magnetic resonance spectroscopy and high-resolution tandem mass spectrometry revealed these compounds to be five new azaphilones. Additionally, the localization of these azaphilones in the host plant was studied by mass spectrometry imaging of different plant tissues, revealing that they were mainly localized in the aerial parts of the plant. The main compound, bulbillosin A, was evaluated for its activity against sixty cancer cell lines, revealing a differential cytotoxicity profile. Endophyte ; Advanced Spaceborne Thermal Emission and Reflection Radiometer ; Botany ; Biology ; Geography ; Remote sensing Phytochemistry and Bioactive Compounds ; Phytochemical Studies and Bioactivities ; Chemical synthesis and alkaloids
Authors: Passanesh Sukphopetch | Pornanong Aramwit | Onrapak Reamtong | Tipparat Thiangtrongjit | Tapanee Kanjanapruthipong | Watcharamat Muangkaew | Kanchana Kengkoom | Kamonpan Fongsodsri | Sumate Ampawong
Source: International Journal of Nanomedicine (article, 2025-04-01)
Field: Materials Science — Biomaterials

Investigating the Therapeutic Potential of Sericin Nanofibers and Rice-Encapsulated Nanosericin for Psoriasis: Mechanistic Insights from a 3D Skin Model ReS and nanosericin show significant therapeutic potential for psoriasis by targeting immunomodulatory pathways, modulating keratinocyte activity, reducing oxidative stress, and enhancing skin barrier restoration. Future research should optimize scalability, assess long-term safety, and explore synergistic effects with existing therapies, while further investigating molecular mechanisms for targeted treatment advancements. Sericin ; Psoriasis ; Nanofiber ; Materials science ; Nanotechnology ; Medicine ; SILK ; Dermatology ; Composite material Silk-based biomaterials and applications ; Bee Products Chemical Analysis ; Skin Protection and Aging
Authors: Agung Sulistyo | Mochamad Bruri Triyono | Zainal Arifin | Muhamad Jalu Purnomo | Tri Adi Prasetya | Chrisna Tri Harjanto
Source: Journal of Sustainable Development of Energy Water and Environment Systems (article, 2025-03-01)
Field: Materials Science — Materials Chemistry

The Testing of Waste Cooking Oil as Waste Recycle to Realising Green Technical Vocational Education and Training This research explores the role of Sustainable Development Goals in addressing waste management issues, particularly within Technical Vocational Education and Training institutions that focus on culinary practices. These institutions often generate significant amounts of waste cooking oil, and improper management can lead to environmental pollution. By integrating effective waste management strategies into vocational education, we can cultivate green Technical Vocational Education and Training principles that enhance environmental awareness and reduce pollution. As the depletion of fossil fuels underscores the need for alternative energy sources, utilising readily available waste materials, such as waste cooking oil, becomes increasingly relevant. This study highlights the potential of waste cooking oil as a sustainable raw material for biodiesel production, supported by findings from both experimental research and literature reviews. Key characteristics, including spray angle, injection pressure, and oil viscosity, have been identified as critical indicators for assessing the recyclability of waste cooking oil. The results demonstrate that waste cooking oil can be effectively converted into valuable raw materials for the renewable energy sector and waste management. This research serves as an implementation of the green Technical Vocational Education and Training concept, contributing to sustainable development in an environmentally friendly manner. Ultimately, this approach can significantly reduce waste and promote sustainable energy practices, aligning with broader sustainability goals. Vocational education ; Waste management ; Training (meteorology) ; Cooking oil ; Business ; Waste recycling ; Environmental science ; Engineering ; Economics ; Chemistry ; Economic growth ; Geography ; Biodiesel Material Selection and Properties
Authors: G.W. Hulsman | J. A. van der Heijden | Ricardo da Silva Torres
Source: Potato Research (article, 2025-05-28)
Field: Chemistry — Analytical Chemistry

Automated Detection and Localization of Potato Blackleg Using a Convolutional Neural Network and Activation Maps Abstract The quality of a seed potato lot is determined by the number of blackleg-affected potato plants. To enhance the quality, affected plants are both detected and removed manually which is laborious and time-consuming. This paper investigates the potential of using a state-of-the-art machine method for automating the blackleg detection task, a problem overlooked in the literature. In particular, we assess for the first time the use of an efficient convolution neural network (EfficientnetV2) for this problem and elaborate on the explainability of obtained results based on activation maps computed using Grad-CAM. Conducted experiments considering a dataset comprising 4000 images depicting potato plants of six different varieties and affected by three different kinds of Pectobacteriaceae . The EfficientnetV2’s use led to effective detection results (0.81 recall and 0.91 precision). The qualitative analysis of results using gradient activation maps (Grad-CAM) suggests that the trained model learned to classify blackleg on the characteristic symptoms of blackleg. Our results suggest the feasibility of the practical automation of potato blackleg detection. The investigated detection model can be embedded in a robot platform or mounted on a vehicle to assist farmers in scouting blackleg. Graphical abstract Blackleg ; Convolutional neural network ; Artificial intelligence ; Computer science ; Artificial neural network ; Pattern recognition (psychology) ; Biology ; Botany Spectroscopy and Chemometric Analyses ; Identification and Quantification in Food ; Potato Plant Research
Authors: Kaoru Sato | Masayasu Nagoshi | Takaya Nakamura | Hiroshi IMOTO
Source: Microscopy (article, 2025-04-16)
Field: Materials Science — Surfaces, Coatings and Films

Ultra-low accelerating voltage scanning electron microscopy with multiple imaging detectors—imaging and analysis at the ‘sweet spot’ – secondary publication This paper describes the positioning of the ultra-low accelerating voltage scanning electron microscope (ULV-SEM) equipped with multiple imaging detectors in the history of SEM development. ULV-SEM provides rich information once the user finds the 'sweet spot' for both secondary electron and backscattered electron images based on an understanding of the signal acceptance of the instrument. Use of multiple imaging detectors allows acquisition of various images with a single scan. X-ray microanalysis under the same experimental conditions as the observation 'sweet spot' has become possible with a windowless X-ray spectrometer optimized for use at a short working distance. Scanning electron microscope ; Detector ; Optics ; Spectrometer ; Acceleration voltage ; Microanalysis ; Electron ; Materials science ; SIGNAL (programming language) ; Secondary electrons ; Scanning confocal electron microscopy ; X-ray detector ; Physics ; Cathode ray ; Computer science ; Chemistry ; Nuclear physics Electron and X-Ray Spectroscopy Techniques ; Advanced Electron Microscopy Techniques and Applications ; Advancements in Photolithography Techniques
Authors: Minglu Zeng | Xinghui Zhu | Ling Wan | Jian Xu | Luming Shen
Source: Applied Sciences (article, 2025-05-20)
Field: Chemistry — Analytical Chemistry

Data-Driven Prediction of Grape Leaf Chlorophyll Content Using Hyperspectral Imaging and Convolutional Neural Networks Grapes, highly nutritious and flavorful fruits, require adequate chlorophyll to ensure normal growth and development. Consequently, the rapid, accurate, and efficient detection of chlorophyll content is essential. This study develops a data-driven integrated framework that combines hyperspectral imaging (HSI) and convolutional neural networks (CNNs) to predict the chlorophyll content in grape leaves, employing hyperspectral images and chlorophyll a + b content data. Initially, the VGG16-U-Net model was employed to segment the hyperspectral images of grape leaves for leaf area extraction. Subsequently, the study discussed 15 different spectral preprocessing methods, selecting fast Fourier transform (FFT) as the optimal approach. Twelve one-dimensional CNN models were subsequently developed. Experimental results revealed that the VGG16-U-Net-FFT-CNN1-1 framework developed in this study exhibited outstanding performance, achieving an R2 of 0.925 and an RMSE of 2.172, surpassing those of traditional regression models. The t-test and F-test results further confirm the statistical robustness of the VGG16-U-Net-FFT-CNN1-1 framework. This provides a basis for estimating chlorophyll content in grape leaves using HSI technology. Hyperspectral imaging ; Convolutional neural network ; Computer science ; Artificial intelligence ; Pattern recognition (psychology) Spectroscopy and Chemometric Analyses ; Water Quality Monitoring and Analysis ; Advanced Chemical Sensor Technologies
Authors: Marina Dobrovolskaia | Twan Lammers | D Marina | A Dobrovolskaia | M Etheridge | S Campbell | A Erdman | C Haynes | S Wolf | J Mccullough | S D'mello | C Cruz | M Chen | M Kapoor | S Lee | K Tyner | W Ke | R Crist | J Clogston | S Stern | M Dobrovolskaia | P Grodzinski | S Libutti | G Paciotti | A Byrnes | H Alexander | W Gannon | M Walker | X Liu | H Meng | M O'brien Laramy | A Costa | Y Cebrero | J Joseph | A Sarode | N Zang | M O'brien | N Wigler | M Inbar | R Rosso | E Grischke | A Santoro | L Manil | P Couvreur | P Mahieu | M Chandler | S Jain | J Halman | E Hong | A Zakharov | M Johnson | E Satterwhite | M Bui | K Benkato | S Dasa | C Liu | Y Chung | Z Zhao | E Jung | A Omole | H Wang | L Sutorus | P Sergent | J Pinto-Crdenas | A Carrillo | D Dvalos | M Prez | D Lechuga | B Kennedy | E Noftall | C Dean | A Roth | K Clark | D Rowles
Source: Nature Communications (article, 2025-09-16)
Field: Materials Science — Biomaterials

Q&amp;A Translational Cancer Nanomedicine The preclinical exploration of nanomedicine for cancer theranostics is rapidly expanding, underscoring its significant translational potential. The diverse physicochemical properties of these nanosystems — including size, morphology, surface charge, hydrophobicity, catalytic activity, and chirality — inevitably influence their interactions with biological systems. As a result, comprehensive biological validation and interdisciplinary collaboration across fields such as biochemistry, biomedical engineering, pharmacology, immunology, and oncology are essential. Nanomedicine ; Translational research ; Cancer ; Translational medicine ; Cancer therapy ; Cancer treatment Nanoparticle-Based Drug Delivery ; Graphene and Nanomaterials Applications ; Computational Drug Discovery Methods
Authors: Alena N. Joignant | Fan Pu | Shaun M. McLoughlin | James W. Sawicki | Andrew J. Radosevich | Renze Ma | Jon D. Williams | Sujatha M. Gopalakrishnan | Nathaniel L. Elsen
Source: SLAS TECHNOLOGY (article, 2025-03-13)
Field: Chemistry — Spectroscopy

Metabolite fingerprinting by infrared matrix-assisted laser desorption electrospray ionization mass spectrometry The adoption of mass spectrometry for high-throughput screening in drug discovery has become increasingly prevalent and has enabled label-free screening against diverse targets. Cellular assays for phenotypic screening, however, are primarily conducted by microscopy as there remain many challenges associated with conducting phenotypic screens via ultra-high throughput mass spectrometry. Following a simple on-plate extraction, infrared matrix-assisted laser desorption electrospray ionization (IR-MALDESI) was employed to directly sample the cell lysate at a speed of one sample per second with high mass resolution. A549 cells were treated with compounds identified as hits in literature, including a recently reported glutaminase cellular screen. Among the test compounds were confirmed glutaminase inhibitors, proposed nuisance compounds, and cell-active but enzyme-inactive compounds. Filtered data were further processed in R for dimensionality reduction and unsupervised clustering. The general nature of dimensionality reduction enables the immediate use of this method in applications other than glutaminase inhibition. Though we observed that all compounds affected the intracellular conversion of glutamine to glutamate, there were clear metabolic differences between the biochemically active compounds and the off-target false hits. Moreover, two nuisance compounds were observed to cluster separately from the confirmed glutaminase inhibitors in the observed metabolite fingerprints. This proof-of-concept work establishes a workflow that enables high-throughput mass spectrometry-based phenotypic screening. The methods proposed herein, at the throughput enabled by IR-MALDESI, could offer a new avenue for the discovery of novel drugs. Mass spectrometry ; Chemistry ; Desorption electrospray ionization ; Matrix-assisted laser desorption electrospray ionization ; Metabolite ; Extractive electrospray ionization ; Mass spectrometry imaging ; Matrix-assisted laser desorption/ionization ; Analytical Chemistry (journal) ; Electrospray ionization ; Desorption ; Chromatography ; Ionization ; Sample preparation in mass spectrometry ; Chemical ionization ; Ion ; Biochemistry ; Organic chemistry Mass Spectrometry Techniques and Applications ; Metabolomics and Mass Spectrometry Studies ; Advanced Proteomics Techniques and Applications
Authors: Venugopal Tamraparani
Source: International Journal of Current Research in Science Engineering & Technology (article, 2025-02-19)
Field: Chemistry — Spectroscopy

AI Driven Biomarker Discovery in Clinical Mass Spectrometry &lt;p&gt;Despite the potential of mass spectrometry (MS) in clinical applications, biomarker discovery through high throughput&lt;br&gt;screening remains a slow and costly endeavor and it has been a major obstacle to identifying reliable and reproducible biomarkers&nbsp;for disease diagnosis and treatment. This exploration can be realized through the integration of artificial intelligence (AI) and&nbsp;machine learning (ML) which allow us to analyze clinical data on a large scale. MS is a high dimensional and widely studied&nbsp;dataset and AI driven models can extract the hidden pattern to find high accuracy biomarkers. Additionally, the integration&nbsp;of multiomics data (genomics, proteomics, metabolomics) with complex AI models imparts a comprehensive understanding&nbsp;of disease mechanisms and potential biomarker interactions.&lt;/p&gt; Biomarker discovery ; Mass spectrometry ; Biomarker ; Computational biology ; Chemistry ; Proteomics ; Chromatography ; Biology ; Biochemistry Mass Spectrometry Techniques and Applications ; Advanced Proteomics Techniques and Applications ; Metabolomics and Mass Spectrometry Studies
Authors: Vincent Polewczyk | A. Yu. Petrov | Brice Sarpi | D. Backes | Hebatalla Elnaggar | Payal Wadhwa | Alessio Filippetti | G. Rossi | Piero Torelli | Giovanni Vinai | Francesco Maccherozzi | B. A. Davidson
Source: Communications Materials (article, 2025-07-18)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Control of the antiferromagnetic domain configuration and Néel axis orientation with epitaxial strain In the growing field of spintronic devices incorporating antiferromagnetic materials, control of the domain configuration and Néel axis orientation is critical for technological implementations. Here we show by X-ray magnetic linear dichroism in photoelectron emission microscopy how antiferromagnetic properties of LaFeO3 (LFO) thin films can be tailored through epitaxial strain. LFO films were grown via molecular beam epitaxy with precise stoichiometric control, using substrates that span a range of strain states—from compressive to tensile—and crystal symmetries, including different crystallographic orientations. First, we show that epitaxial strain dictates the Néel axis orientation, shifting it from completely in-plane under compressive strain to completely out-of-plane under tensile strain, regardless of the substrate crystal symmetry. Second, we find that LFO films grown on cubic substrates exhibit a fourfold distribution of antiferromagnetic domains, but can be controlled by varying the substrate miscut, while those on orthorhombic substrates, regardless of strain state, form large-scale monodomains, a highly desirable feature for spintronic applications. Precise control over antiferromagnetic domain configurations and Néel axis orientation is essential for technological advancement of spintronic devices. Here, the authors use epitaxial strain to tailor the magnetic properties of LaFeO3 thin films, demonstrating a crystal engineering approach which may have much wider applicability. Epitaxy ; Orientation (vector space) ; Antiferromagnetism ; Domain (mathematical analysis) ; Strain (injury) ; Materials science ; Crystallography ; Condensed matter physics ; Physics ; Geometry ; Mathematics ; Chemistry ; Composite material ; Biology ; Mathematical analysis ; Anatomy Magnetic and transport properties of perovskites and related materials ; Multiferroics and related materials ; Magnetic Properties and Applications
Authors: Wenyue Yuan | Tao Zhu | Bing Yang | Haoxu Ding | Xiaorui Wang | Quanwei Che | Jingke Zhang | Shoune Xiao | Cheng Lei
Source: Chinese Journal of Mechanical Engineering (article, 2025-08-06)
Field: Materials Science — Materials Chemistry

Influence of Fatigue Damage on Collision Response of Metro Vehicles: Simulation and Experimental Study Based on Damage Sequence Interaction Model Abstract This study decouples the material microstructure into matrix and void phases. The undamaged constitutive is derived from the matrix phase, while the void phase contributes to damage evolution. A constitutive model is established by coupling the two. According to the void-phase evolution during damage, a damage sequence interaction model is proposed. Tests on new vehicles and vehicles in service materials yield stress-strain curves of materials without and with fatigue damage and measure the apparent elastic modulus. The damage sequence interaction model accurately predicts the residual mechanical properties of undamaged materials. A trolley collision test validates the constitutive model. Collision simulations at 25, 36, and 48 km/h reveal that compared with undamaged models, the maximum vertical lift heights of moving vehicles with fatigue damage are 4.54%, 3.74%, and 9.17% lower, respectively, and the maximum longitudinal compressions of stationary vehicles are 4.76%, 14.53%, and 33.15% higher respectively. This research emphasizes the importance of considering fatigue damage in vehicle design and maintenance. The damage sequence interaction model has high engineering application value, applicable to vehicle safety checks and design, and provides a reference for improving relevant standards. Collision ; Sequence (biology) ; Structural engineering ; Engineering ; Computer science ; Chemistry ; Computer security High-Velocity Impact and Material Behavior ; Structural Response to Dynamic Loads ; Fatigue and fracture mechanics
Authors: Jia Chen | Zhenyu Zhao | Jun Wang
Source: Scientific Reports (article, 2025-07-31)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Polarization dependent bound states in continuum in a tetramer metasurface discovered by random forest algorithm A tetramer metasurface with strong coupling of meta-atoms under C<sub>2</sub> symmetry is proposed to realize polarization-dependent bound states in continuum (BICs) with the random forest regressor algorithm assistance. The quality (Q) factor of quasi-BIC correlates with the centralization degree of the tetramer structure, which is determined by the photonic band characteristics. The quasi-BIC is dominated by a hybrid of electric dipole and quadrupole in E<sub>x</sub> polarization (Q > 10<sup>4</sup>), whereas only electric dipole dominates quasi-BIC (Q > 10<sup>3</sup>) in E<sub>y</sub> polarization. These findings demonstrate a novel strategy to achieve ultrahigh Q-factor resonances in terahertz photonics. Tetramer ; Polarization (electrochemistry) ; Algorithm ; Random forest ; Physics ; Computer science ; Statistical physics ; Artificial intelligence ; Chemistry ; Nuclear magnetic resonance Metamaterials and Metasurfaces Applications ; Plasmonic and Surface Plasmon Research ; Photonic Crystals and Applications
Authors: V. V. Kudelkina | Andrey D. Gerasimov | А. М. Косырева | А. И. Алексеева | О. В. Макарова
Source: The Open Medicinal Chemistry Journal (article, 2025-01-14)
Field: Materials Science — Biomaterials

PLGA Polymers and Doxorubicin for the Treatment of Malignant Gliomas in Adults: An Overview Malignant brain tumors, such as glioblastoma and astrocytoma, are the most aggressive diffuse gliomas with a high grade (4) of malignancy in adults, leading to high mortality. The development of pharmacological approaches to drug delivery systems has led to increased effectiveness and reduced systemic toxicity of anticancer therapy. Delivery systems, such as implants, plates, gels, and micro- and nanoparticles, are used as carriers for anticancer substances, improving their solubility and biodistribution. These delivery systems affect the mechanism of drug action, reduce toxicity, Micro- and nanoparticles can penetrate physiological barriers of the body, including the blood-brain barrier (BBB). Due to changes in the microvascular system, they linger and accumulate in the area of pathology. Despite extensive data on delivery systems, only a few have undergone clinical trials and been adopted into clinical practice. For over 20 years, polymeric plates containing carmustine have been clinically used to treat malignant brain tumors. The search for safer and more effective forms of drug anti-tumor agents continues, as glioblastoma remains an incurable disease. Doxorubicin is a primary chemotherapy agent with proven efficacy, which is included in standard therapy for almost all tumor types. However, it is not used to treat central nervous system tumors, as it is believed that it does not cross the BBB. The polymers of lactic acid and glycolic acid (PLGA or PLG) are biocompatible and biodegradable. Standards for different tumor types where doxorubicin is used. We describe the mechanisms of action of polymeric and nanoparticle forms of chemotherapy drugs, the prospects of using PLGA polymers, and assess possible ways to deliver doxorubicin and other medications for brain tumors effectively. Doxorubicin ; PLGA ; Medicine ; Cancer treatment ; Temozolomide ; Oncology ; Glioma ; Cancer ; Traditional medicine ; Internal medicine ; Cancer research ; Chemotherapy ; Biology ; Genetics ; In vitro Nanoparticle-Based Drug Delivery ; Graphene and Nanomaterials Applications ; Nanoplatforms for cancer theranostics