jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Corina-Iuliana Pătrăucean-Patrașcu | Dan-Alexandru Gavrilescu | Maria Gavrilescu
Source: Applied Sciences (article, 2025-12-10)
Field: Materials Science — Biomaterials

Chemical Transformations and Papermaking Potential of Recycled Secondary Cellulose Fibers for Circular Sustainability The papermaking and recycling industries face increasing demands to improve efficiency, product quality, and environmental performance under conditions of water closure and high furnish variability. This study presents a comprehensive assessment of process control and management strategies for optimizing fines behavior, retention and fixation efficiency, de-inking performance, and ash balance in modern papermaking systems. The surface chemistry of fines was found to play a pivotal role in regulating charge distribution, additive demand, and drainage behavior, acting both as carriers and sinks for dissolved and colloidal substances. Results show that light, targeted refining enhances external fibrillation and produces beneficial fines that strengthen fiber bonding, while excessive refining generates detrimental fines and impairs drainage. Sequential retention programs involving polyamines, polyaluminum compounds, and microparticle systems significantly improve fines capture and drainage stability when operated under controlled pH and ionic strength. In recycling operations, optimized flotation conditions coupled with detackifiers and mineral additives such as talc effectively reduce micro-stickies formation and deposition risks. Ash management strategies based on partial purge and coordinated filler make-up maintain bonding, optical properties, and energy efficiency. Overall, the findings emphasize the need for an integrated wet-end management framework combining chemical, mechanical, and operational controls. Perspectives for future development include the application of biodegradable additives, nanocellulose-based reinforcements, and data-driven optimization tools to achieve sustainable, high-performance paper manufacturing. Papermaking ; Deinking ; Pulp (tooth) ; Sustainability ; Cellulose fiber ; Abrasion (mechanical) Advanced Cellulose Research Studies ; Material Properties and Processing ; Lignin and Wood Chemistry
Authors: Robin Joshi | Soon Yew Tang | Ujjalkumar Subhash Das | Daniel J. Boehmler | Antonijo Mrčela | Ronan Lordan | E. James Petersson | Aalim M. Weljie | Garret A. FitzGerald
Source: Analytica Chimica Acta (article, 2025-09-28)
Field: Chemistry — Spectroscopy

Multimodal landscape of atherosclerotic plaques: A spatial omics approach with mass spectrometry imaging Atherosclerotic plaques are complex and heterogeneous structures, originating as fatty streaks in the vasculature and formed by the accumulation of lipids and foam cells. Over time, these lesions progress as inflammation, smooth muscle cell proliferation and phenotypic switching, and extracellular matrix deposition contribute to plaque growth, culminating in their fracture, reactive thrombogenesis, and a cardiovascular event such as myocardial infarction and stroke. Traditional bulk mass spectrometry (MS) analysis has yielded critical insights into the molecular mechanisms of plaque formation and disease progression, but it is unable to determine the spatial heterogeneity and microenvironmental complexity within the lesion. Recent advances in mass spectrometry imaging (MSI) based omics, including spatial lipidomics, proteomics, and metabolomics, have enabled unprecedented visualization of molecular distribution in atherosclerotic plaques at cellular resolution. These techniques promise to elucidate the distinct cellular crosstalk, lesion vulnerability, and sex-specific disease mechanisms that contribute to plaque development and rupture. This review examines the recent advances in MS-based spatial omics and their application to atherosclerotic plaques in both experimental models and human samples. We highlight recent findings, explore their implications for precision medicine and translational research, and discuss current challenges in sample preparation and data integration. Despite challenges, we suggest approaches for integration of MS-based spatial omics using artificial intelligence (AI) to enhance data integration, interpretation, and translational applications in atherosclerosis research. These advances promise to broaden our understanding of atherosclerosis and identify novel therapeutic targets to limit the burden of cardiovascular disease. Mass spectrometry imaging ; Extracellular matrix ; Proteomics ; Omics ; Metabolomics ; Phenomics ; Myocardial infarction ; Disease ; Molecular imaging Mass Spectrometry Techniques and Applications ; Metabolomics and Mass Spectrometry Studies ; Advanced Proteomics Techniques and Applications
Authors: Haotian Wang | Xuli Cheng | Yuhao Wang | Yue‐tao Yang | Yuan Xue | Zhitang Song | Sannian Song | Li-Jun Tian | Wei Ren
Source: Vacuum (article, 2025-04-17)
Field: Materials Science — Materials Chemistry

Ga2Se3-based Ovonic Threshold Switching selector for high-density memory applications Materials science ; Optoelectronics ; Computer science Phase-change materials and chalcogenides ; Chalcogenide Semiconductor Thin Films ; Quantum Dots Synthesis And Properties
Authors: Yisimayili Tuersun | Pingjun Luo | Yixin Chen | Xu Huang | Mingdeng Huang | Sheng Chu
Source: Composites Communications (article, 2025-07-02)
Field: Materials Science — Materials Chemistry

Preparation and surface modification of vertically structured indium/graphite elastomer thermal pad for effective heat dissipation Graphite ; Elastomer ; Materials science ; Indium ; Composite material ; Surface modification ; Thermal ; Nanotechnology ; Mechanical engineering ; Optoelectronics ; Engineering Thermal properties of materials ; Synthesis and properties of polymers ; Dielectric materials and actuators
Authors: C. Uma | K. Gobikanila | P. R. Jeyaramraja | Syraji Yonas
Source: Next research. (article, 2025-05-16)
Field: Materials Science — Biomaterials

Metal nanoparticles in liver cancer therapy: Advances, challenges, and future directions Cancer therapy ; Liver cancer ; Nanotechnology ; Cancer ; Medicine ; Materials science ; Internal medicine Nanoparticle-Based Drug Delivery ; Advanced Nanomaterials in Catalysis ; Nanoplatforms for cancer theranostics
Authors: Hannan Sadiq | Muneeb Ur Rahman | Habiba Akram | Ihtesham Ur Rehman | Rehan Ali | Rehan Khan
Source: Journal of Drug Delivery Science and Technology (article, 2025-10-01)
Field: Materials Science — Biomaterials

Organelle-targeted nanostructured lipid carriers: Strategic design, analytical validation, and translational insights for precision intracellular drug delivery Drug delivery ; Biodistribution ; Nanocarriers ; Zeta potential ; Rational design ; Bioorthogonal chemistry ; Intracellular ; Quality by Design ; Nanocapsules Nanoparticle-Based Drug Delivery ; RNA Interference and Gene Delivery ; Lipid Membrane Structure and Behavior
Authors: Chenghao Mo | Wenlong Xu | Kaibiao Xi | Mupeng Zheng | Yudong Hou
Source: Chemical Engineering Journal (article, 2025-08-29)
Field: Materials Science — Materials Chemistry

Robust lead-free capacitor ceramics for harsh electronic service environments with directional phase structure coupled with defect engineering design Lead (geology) ; Ceramic ; Phase (matter) ; Capacitor ; Service (business) ; Materials science ; Material Design ; Engineering ; Electrical engineering ; Chemistry ; Business ; Composite material ; Geology Ferroelectric and Piezoelectric Materials ; Microwave Dielectric Ceramics Synthesis ; Dielectric materials and actuators
Authors: Kunyi Wang | Zixuan Zhang | Xin Guo | Guoyang Zhang | Yulong Jin | Zhuo Wang
Source: Journal of Materials Chemistry B (article, 2025-01-01)
Field: Materials Science — Materials Chemistry

Recent advances in organic molecule fluorescent probes for microbial imaging Microorganisms play a crucial role in human life and production. However, certain pathogenic microorganisms, such as bacteria, viruses, and fungi, can cause diseases like pneumonia, meningitis, and influenza, potentially leading to global public health crises. Fluorescence imaging has become a key tool for microbial detection due to its high specificity, sensitivity, and operational convenience. This review summarizes recent advances in microbial imaging studies based on organic small-molecule fluorescent probes. It focuses on the design strategies of various fluorophores, such as AIE, BODIPY, rhodamine, and fluorescein, and their application in imaging bacteria, fungi, and viruses. By targeting microbial-specific biomarkers, such as cell wall components, enzymes, or nucleic acid structures, these probes achieve high-selectivity imaging. These probes are applied in the detection of drug-resistant bacteria, biofilm research, and the development of anti-infective drugs. Additionally, the integration of multi-probe arrays with artificial intelligence opens new avenues for rapid microbial classification. This review discusses the principles of probe design, imaging mechanisms, and challenges, while also exploring their potential in clinical diagnostics and biological research. Biofilm ; Nanotechnology ; Microorganism ; Bacteria ; Biology ; Materials science Luminescence and Fluorescent Materials ; Nanoplatforms for cancer theranostics ; Molecular Sensors and Ion Detection
Authors: Rui Ma | F. Zhang | Qingbin Li | Yu Hu | Zhaolin Liu | Yaosheng Tan | Qinglong Zhang
Source: Intelligent infrastructure and construction (article, 2025-03-24)
Field: Materials Science — Materials Chemistry

Intelligent Optimal Strategy for Balancing Safety–Quality–Efficiency–Cost in Massive Concrete Construction Thermal stress control is crucial for massive concrete structures during construction. The cooling strategies directly determine the safety of structures, material quality, construction efficiency, and project cost. However, precise spatiotemporal thermal stress regulation and management are difficult to achieve due to the lack of balanced discriminant criteria and multi-objective optimization methods for the selection of traditional strategies. Therefore, an intelligent optimization method for thermal stress management strategy in massive concrete structures, considering the balance of safety, quality, efficiency, and cost (SEQC-TSOM), is proposed. Initially, a Thermal Stress Simulation Mechanism Model (TSSM) is constructed to accurately evaluate the structural state throughout the entire process. Subsequently, a mechanism data-driven surrogate model (MD-SM) is constructed to quickly evaluate the structural response under different cooling strategies. Furthermore, a multi-objective intelligent optimization model and a multi-criteria decision-making model are proposed to filter the intelligent optimal strategy from the Pareto solution set. Finally, a case study based on the Baihetan arch dam project is conducted, and the results show that the safety, quality, efficiency, and cost (SEQC)-balanced strategy increases safety by 42%, improves cooling efficiency by 36%, and reduces cooling costs by 20.6% compared with traditional strategies. Quality (philosophy) ; Computer science ; Risk analysis (engineering) ; Construction engineering ; Reliability engineering ; Engineering ; Business Structural mechanics and materials ; BIM and Construction Integration ; Geotechnical Engineering and Analysis
Authors: Zainab Ololade Iyiola | Eric Thompson Brantson | Nneoma Juanita Okeke | Kayode Sanni | Promise O. Longe
Source: Processes (article, 2025-07-09)
Field: Chemistry — Inorganic Chemistry

Carbon Capture Using Metal Organic Frameworks (MOFs): Novel Custom Ensemble Learning Models for Prediction of CO2 Adsorption The accurate prediction of carbon dioxide (CO2) adsorption in metal–organic frameworks (MOFs) is critical for accelerating the discovery of high-performance materials for post-combustion carbon capture. Experimental screening of MOFs is often costly and time-consuming, creating a strong incentive to develop reliable data-driven models. Despite extensive research, most studies rely on standalone models or generic ensemble strategies that fall short in handling the complex, nonlinear relationships inherent in adsorption data. In this study, a novel ensemble learning framework is developed by integrating five distinct regression algorithms: Random Forest, XGBoost, LightGBM, Support Vector Regression, and Multi-Layer Perceptron. These algorithms are combined into four custom ensemble strategies: equal-weighted voting, performance-weighted voting, stacking, and manual blending. A dataset comprising 1212 experimentally validated MOF entries with input descriptors including BET surface area, pore volume, pressure, temperature, and metal center is used to train and evaluate the models. The stacking ensemble yields the highest performance, with an R2 of 0.9833, an RMSE of 1.0016, and an MAE of 0.6630 on the test set. Model reliability is further confirmed through residual diagnostics, prediction intervals, and permutation importance, revealing pressure and temperature to be the most influential features. Ablation analysis highlights the complementary role of all base models, particularly Random Forest and LightGBM, in boosting ensemble performance. This study demonstrates that custom ensemble learning strategies not only improve predictive accuracy but also enhance model interpretability, offering a scalable and cost-effective tool for guiding experimental MOF design. Metal-organic framework ; Adsorption ; Carbon fibers ; Materials science ; Computer science ; Nanotechnology ; Environmental science ; Chemistry ; Organic chemistry Metal-Organic Frameworks: Synthesis and Applications ; Machine Learning in Materials Science ; Carbon Dioxide Capture Technologies
Authors: Y.S. Li | Bieerlan Jianayihan | Song Huang | Edward M. Wu | Chuang Guan | Zhenyu Wang
Source: Engineering Failure Analysis (article, 2025-04-18)
Field: Materials Science — Materials Chemistry

Coupling effect of manufacturing and creep on remaining strength of 2.25Cr-1Mo-0.25 V steel ring shells Creep ; Ring (chemistry) ; Coupling (piping) ; Materials science ; Composite material ; Metallurgy ; Structural engineering ; Engineering ; Chemistry Material Properties and Failure Mechanisms ; Microstructure and Mechanical Properties of Steels ; Engineering Diagnostics and Reliability
Authors: Amjad Ali | Noor Ul Huda Altaf | Muhammad Ismail | Aamira Tariq | Mohd Faiz Hassan | Javeria Kanwal | Muhammad Hassan | Muhammad Gohar | Khalid Khan | Abdul Basıt
Source: Scholars Academic Journal of Biosciences (article, 2025-06-21)
Field: Chemistry — Organic Chemistry

Nanomaterials in Chemistry Emerging Applications in Catalysis, Energy Storage (Including Lithium-Ion Batteries), and Biomedicine Nanomaterials have gained remarkable attention in modern chemistry due to their unique size-dependent properties, large surface area, and enhanced reactivity, making them highly suitable for a wide range of advanced applications. This article presents a comprehensive review of the recent developments and applications of nanomaterials in the fields of catalysis, energy storage (with a special focus on lithium-ion batteries), and biomedicine. In catalysis, nanomaterials such as metal nanoparticles, nanostructured oxides, and carbon-based materials have shown exceptional activity and selectivity, offering improved performance in processes like photocatalysis, environmental cleanup, and industrial reactions. In energy storage, nanomaterials have significantly advanced the efficiency and capacity of lithium-ion batteries by improving electrode conductivity, increasing charge-discharge rates, and enhancing cycle life. Materials like graphene, carbon nanotubes, silicon nanostructures, and transition metal compounds are discussed for their roles in next-generation battery technologies. In the biomedical field, nanomaterials offer innovative solutions in drug delivery, bioimaging, diagnostics, and cancer treatment, owing to their ability to target specific sites, carry therapeutic agents, and respond to biological stimuli. The article also summarizes experimental findings, synthesis methods, material characterizations, and comparative performance analyses to provide a clear understanding of structure property relationships. Challenges such as toxicity, long-term stability, Environmental effects and scalability are also addressed, with suggestions for future research directions. Overall, the review highlights how nanomaterials are shaping the future of sustainable chemistry and advanced technologies across multiple sectors. Nanotechnology ; Nanomaterials ; Materials science ; Energy storage ; Carbon nanotube ; Lithium (medication) Nanomaterials for catalytic reactions ; Advancements in Battery Materials ; Graphene and Nanomaterials Applications
Authors: Muhammed Fidan | Nevzat Konar | İlyas Atalar | İbrahim Palabıyık | Cihat Güner | Hakan Başdoğan | Ömer Said Toker
Source: The Science of The Total Environment (article, 2025-11-21)
Field: Chemistry — Organic Chemistry

Comparative life cycle assessment of deep frying and tunnel drying in instant noodle manufacturing: Environmental trade-offs and hotspot identification Life-cycle assessment ; Environmental impact assessment ; Resource depletion ; Global-warming potential ; Fossil fuel ; Scarcity ; Greenhouse gas ; Impact assessment ; Production (economics) Edible Oils Quality and Analysis ; Food Waste Reduction and Sustainability ; Agriculture Sustainability and Environmental Impact
Authors: Álmos Orosz | Levente Sándor | Khadijeh Firoozirad | Éva Pusztai | Péter Nagy-György | Botond Szilágyi
Source: Powder Technology (article, 2025-03-22)
Field: Materials Science — Materials Chemistry

Streamlining crystallization process scale-up using statistical modeling of experiments and complementary CFD flow fields Our paper presents a simple method that bridges computational fluid dynamics (CFD) simulations with systematic experimentation using multivariable statistics, which was developed in the spirit of rapid applicability, quick transferability, and practical simplicity in the process development and scale-up stage. This applies to technologies that have already been developed on a small scale, and it applies when the focal point of scale-up is the stirring conditions, rather than heat transfer or other issues. We propose identifying the predictive CFD variables on the measured CQAs and then training a predictive model that allows us to estimate the CQAs from the simulated flow fields in a technology transfer. The case study of cooling crystallization of L-glutamic acid demonstrates the workflow. Small-scale experiments (0.5 L) are performed with varied active volume and agitation rates, and the particle size distributions (PSD) of the products are measured. The corresponding quasi-steady-state CFD simulations were executed to obtain the flow field using the k − ɛ turbulence model. A partial least squares (PLS)–based recursive feature selection identified the predictive mixing parameters from the plethora of available CFD variables and simultaneously built a predictive model for the product CQA-s. Five critical CFD variables were identified in this case study, all related to the shear-rate distributions. The calibrated optimal PLS model had two components, and allowed the prediction of the mean sizes of the product, that is, D v 10 , D v 50 , and D v 90 on a 5 L scale with 0.2, 16.4, and 1 . 2 μ m deviation from the measured values. This data-driven method simplifies and accelerates the CFD-based scale-up under certain conditions (moderate nonlinearities, flow-centric problem) but does not aim to replace the meticulously identified nonlinear first-principles models. • Experiment-focused technique for scale-up of mixing-sensitive crystallization processes. • Fast, quasi-steady-state flow field simulation without material, energy, or population balances. • Data mining for the definition of process-specific mixing-related scale-up criteria. • Experimental demonstration through a cooling crystallization process. • The method applicable to CQAs beyond the particle sizes and crystallization processes. Computational fluid dynamics ; Scale (ratio) ; Process (computing) ; Flow (mathematics) ; SCALE-UP ; Computer science ; Process engineering ; Mechanical engineering ; Mechanics ; Engineering ; Aerospace engineering ; Physics ; Classical mechanics Crystallization and Solubility Studies ; Calcium Carbonate Crystallization and Inhibition ; Metallurgical Processes and Thermodynamics
Authors: Ahmed Gabr | Mohamed S. H. Salem | Md. Imrul Khalid | Ryota Takahashi | Yoshihiro Nishimoto | Makoto Yasuda | Shinobu Takizawa
Source: Nature Communications (article, 2025-07-01)
Field: Chemistry — Organic Chemistry

Electrochemical cascade access to hetero[8]circulenes as potent organophotocatalysts for diverse C–X bond formations The chemistry of hetero[8]circulenes has been limited to three main types, constrained by synthetic challenges in creating unsymmetrical variants. Herein, we introduce an electrochemical approach to a type of hetero[8]circulene, featuring five hexagons and three pentagons. Our method capitalizes on the sustainability and selectivity of electrochemistry, utilizing differential oxidation potentials to generate dioxaza[8]circulenes through selective intermolecular and intramolecular couplings under mild conditions, achieving yields of up to 83% with good functional group tolerance. We further refine this process into a one-pot protocol using commercially available substrates, forming six new bonds. Comprehensive structural, optical, and electrochemical characterizations, including X-ray crystallography, spectrophotometric analysis, and DFT calculations, are conducted. Inspired by their distinct structural and redox properties, we explore the application of dioxaza[8]circulenes as organophotocatalysts for diverse C-X (X = C, B, S, P) bond formation achieving up to 97% yields under LED light irradiation (365 nm) without transition metals. Intramolecular force ; Electrochemistry ; Intermolecular force ; Redox ; Cascade ; Chemistry ; Transition metal ; Combinatorial chemistry ; Materials science ; Molecule ; Nanotechnology ; Crystallography ; Stereochemistry ; Inorganic chemistry ; Physical chemistry ; Catalysis ; Electrode ; Organic chemistry Synthesis and Properties of Aromatic Compounds ; Conducting polymers and applications ; Radical Photochemical Reactions