jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Tianyi Cao | Xiao‐Lei Shi | Boxuan Hu | Qishuo Yang | Wanyu Lyu | Shuai Sun | Liang‐Cao Yin | Qing-Yi Liu | Wenyi Chen | Xiaodong Wang | Siqi Liu | Meng Li | Wei‐Di Liu | Tuquabo Tesfamichael | Qingfeng Liu | Jennifer MacLeod | Zhi‐Gang Chen
Source: Nature Communications (article, 2025-02-12)
Field: Materials Science — Materials Chemistry

Advancing Ag2Se thin-film thermoelectrics via selenization-driven anisotropy control The debate over the optimal orientation of Ag<sub>2</sub>Se thin films and its influence on thermoelectric performance remains ongoing. Here, we report a wet-chemical selenization-based anisotropy optimization technique to control the in-plane orientation of the Ag<sub>2</sub>Se thin film, steering it away from (002) nearly parallel planes that hinder charge carrier mobility. This approach enables us to achieve an impressive power factor of 30.8 μW cm<sup>-1</sup> K<sup>-2</sup> at 343 K. The as-fabricated Ag<sub>2</sub>Se thin film demonstrates remarkable durability, retaining over 90% of its power factor after six months of air exposure, and outstanding flexibility, with performance variation staying within 5% after 2000 bending cycles at a 5 mm radius. These attributes are attributed to the controlled film thickness, crystallinity, and strong adhesion to the polyimide substrate. Additionally, the as-assembled slotted thermoelectric device delivers an output power of 0.58 μW and a competitive power density of 807 μW cm<sup>-2</sup> at a temperature difference of 20 K, alongside a high normalized power density of 1.8 μW cm<sup>-2</sup> K<sup>-2</sup>, highlighting its potential for practical application. This study provides valuable insights into the design of high-performance, highly flexible thermoelectric thin films for real-world applications. Materials science ; Thin film ; Power density ; Anisotropy ; Substrate (aquarium) ; Thermoelectric effect ; Seebeck coefficient ; Optoelectronics ; Crystallinity ; Engineering physics ; Composite material ; Nanotechnology ; Power (physics) ; Optics ; Thermal conductivity ; Thermodynamics ; Physics Advanced Thermoelectric Materials and Devices ; Thermal Radiation and Cooling Technologies ; Perfectionism, Procrastination, Anxiety Studies
Authors: Aliyu Adamu | Ogunkemi Risikat Agbeke Iyun | James Dama Habila
Source: BMC Chemistry (article, 2025-06-09)
Field: Materials Science — Materials Chemistry

Adsorption and thermodynamic studies of the corrosion Inhibition effect of Desmodium adscendens (Swartz) extract on carbon steel in 2 M HCl This study examined the thermodynamic parameters and adsorption mechanism of Desmodium adscendens (Swartz) extract (DAPE) as a corrosion inhibitor for carbon steel in 2.0 M HCl. DAPE's chemical structure was analyzed using FT-IR spectroscopy, while the inhibition efficiency and corrosion rate were determined via gravimetric analysis. Thermodynamic parameters such as activation energy, enthalpy, and entropy changes were calculated using relevant equations. Adsorption isotherms were used to assess Gibbs free energy change. DAPE, according to the FT-IR spectra contained O-H, C = O, C = C, and C-O functional groups, typical of organic corrosion inhibitors. Higher concentrations of DAPE resulted in an increase in activation energy (from 45.36 to 65.26 kJmol<sup>- 1</sup>) and enthalpy of activation (from 42.61 to 62.51 kJmol<sup>- 1</sup>), along with a decrease in entropy of activation (from - 0.163 to -0.114 kJmol<sup>- 1</sup>), indicating the formation of a film barrier through physisorption on the metal surface. Spontaneous adsorption of DAPE was validated by negative ∆G<sub>ads</sub> values (-19.52 to -20.41 kJmol<sup>- 1</sup>), and negative ∆H<sub>ads</sub> (-12.55 kJmol<sup>- 1</sup>) revealing an exothermic process. The Langmuir isotherm was the most suitable model, with high R<sup>2</sup> values (0.9982 to 0.9995) and an equilibrium constant of absorption (K<sub>ads</sub>) of 32.57 Lg<sup>- 1</sup> indicating monolayer adsorption. In addition, DAPE achieved an inhibition efficiency of 87.61%, which demonstrated its promise as a potent and cost effective corrosion inhibitor for carbon steel in acidic environments. Enthalpy ; Physisorption ; Gibbs free energy ; Adsorption ; Chemistry ; Langmuir adsorption model ; Monolayer ; Gravimetric analysis ; Corrosion ; Physical chemistry ; Carbon steel ; Inorganic chemistry ; Thermodynamics ; Nuclear chemistry ; Organic chemistry Corrosion Behavior and Inhibition ; Concrete Corrosion and Durability ; Hydrogen embrittlement and corrosion behaviors in metals
Authors: David Esporrín‐Ubieto | Juan C. Fraire | Daniel Sánchez‐deAlcázar | Samuel Sánchez
Source: Advanced Materials (review, 2025-07-14)
Field: Materials Science — Materials Chemistry

Engineered Plasmonic and Fluorescent Nanomaterials for Biosensing, Motion, Imaging, and Therapeutic Applications The field of nanophotonics has seen remarkable advances, with gold-based materials standing out. By precisely fine-tuning the size and shape of metal nanoparticles (NPs), such as gold nanoparticles (AuNPs), it has been possible to gain control over light interaction, modulating localized surface plasmon resonance (LSPR), a phenomenon that involves the collective oscillation of free conduction electrons. This has opened the path toward more powerful biomedical applications, including surface-enhanced Raman spectroscopy (SERS) and photothermal therapy (PTT). When AuNPs dimensions fall below 2 nm, they become gold nanoclusters (AuNCs), losing the LSPR but acquitting fluorescence due to their molecule-like behavior. This unique feature makes them ideal for high-resolution imaging, biomarker detection, and advanced therapies. Beyond traditional uses, the recent inclusion of AuNPs into nanomotors (NMs) enhances precise in vivo tracking and targeted drug delivery. This review highlights the different applications of plasmonic nanomaterials with particular emphasis on AuNPs and AuNCs as a function of their shapes, sizes, and stabilization ligands. Moreover, it dives into the biosensing applications of plasmonic materials by addressing their so-called far-field and near-field optical properties, giving a detailed overview of different high-sensitivity immunoassays and biosensing. A comprehensive outlook on the evolution of plasmonic-based materials for the next therapies is provided. Nanotechnology ; Materials science ; Photothermal therapy ; Plasmon ; Biosensor ; Nanomaterials ; Colloidal gold ; Surface plasmon resonance ; Surface-enhanced Raman spectroscopy ; Nanoparticle ; Raman spectroscopy ; Raman scattering ; Optoelectronics ; Optics Nanocluster Synthesis and Applications ; Gold and Silver Nanoparticles Synthesis and Applications ; Advanced Nanomaterials in Catalysis
Authors: Davide Frumento | Ştefan Ţălu
Source: Journal of Composites Science (article, 2025-06-17)
Field: Materials Science — Biomaterials

Immunomodulatory Potential and Biocompatibility of Chitosan–Hydroxyapatite Biocomposites for Tissue Engineering Chitosan–hydroxyapatite (CS-HAp) biocomposites, combining the biocompatibility and bioactivity of chitosan with the osteoconductive properties of hydroxyapatite, are emerging as promising candidates for tissue engineering applications. These materials consistently exhibit excellent cytocompatibility, with cell viability rates greater than 95% in MTT and Neutral Red Uptake assays, and minimal cytotoxicity, as demonstrated by low levels of cell death in DAPI and Trypan blue staining. More importantly, CS-HAp biocomposites modulate the immune environment by enhancing the expression of anti-inflammatory cytokines (IL-10 and IL-4) and the pro-inflammatory cytokine TGF-β, while avoiding significant increases in TNF-α, IL-6, or NF-κB expression in fibroblast cells exposed to HAC and HACF scaffolds. In an in vivo dermatitis model, these biocomposites reduced mast cell counts and plasma histamine levels and significantly decreased pro-inflammatory cytokines (TNF-α, IL-1β, IL-6), JAK1/3, VEGF, and AnxA1 levels. Structurally, HACF scaffolds demonstrated larger average pore sizes (95 µm) compared to HAC scaffolds (74 µm), with porosities of 77.37 ± 2.4% and 65.26 ± 3.1%, respectively. These materials exhibited high swelling ability, equilibrium water content, and controlled degradation over a week in culture media. In addition to their immunomodulatory effects, CS-HAp composites promote essential cellular activities, such as attachment, proliferation, and differentiation, thereby supporting tissue integration and healing. Despite these promising findings, significant gaps remain in understanding the underlying mechanisms of immune modulation by CS-HAp biocomposites, and formulation-dependent variability raises concerns about reproducibility and clinical application. Therefore, a comprehensive review is essential to consolidate existing data, identify key knowledge gaps, and standardize the design of CS/HAp composites for broader clinical use, particularly in immunomodulatory and regenerative medicine contexts. Chitosan ; Biocompatibility ; Tissue engineering ; Biomedical engineering ; Materials science ; Nanotechnology ; Chemical engineering ; Medicine ; Engineering Silk-based biomaterials and applications ; Bone Tissue Engineering Materials ; Electrospun Nanofibers in Biomedical Applications
Authors: Ajay Vikram Singh | Preeti Bhardwaj | Vimal Kishore | Sunil Choudhary | Akihiko Hirose | Neha Gupta | Madleen Busse | Swarn Lata Singh | Christopher Osgood
Source: Small Science (review, 2025-09-29)
Field: Materials Science — Materials Chemistry

Multifunctional Nanoscale Pigments: Emerging Risks and Circular Strategies for a Sustainable Future The substantial penetration of nanoscale pigments into a range of sectors has changed the dynamics of industries such as medical, material science, and many more. Nonetheless, their persistence in the environment and probable adverse impacts on health require that an assessment of such risks be formulated considering the One Health perspective. This viewpoint considers the crossing of boundaries of progress in the nanotechnology of nanoscale pigments with environmental, animal, and human health and emphasizes the significance of collaborative activity. Traditional perspectives explain the distribution of pigment history, while the nanotechnology of today's accessibility poses problems regarding utilization, toxicities, and interactions with the environment. Through discussions of environmental pathways, health determinants, and regulatory insufficiencies, this work makes evident that pigments are critical both as emerging contaminant's and as innovation drivers. The necessary advancements in exposure minimization and sustainable practices are discussed as well, giving insight on benign-by-design techniques and circular economy solutions. Expanding the discussion of the existing knowledge and the gap where the ´One Health´ concept can be applied in physiochemical properties of pigments as well as governance, this work offers an approach to enabling risk while enhancing invention. It urges timely global action for sustainable, beneficial nanoscale pigment futures. Human health ; Emerging technologies ; Circular economy ; Action (physics) ; Work (physics) ; Societal impact of nanotechnology Nanoparticles: synthesis and applications
Authors: Lorenzo A. Mariano | Nguyen Vu Ha Anh | Jonatan B. Petersen | Magnus Bjørnsson | Jesper Bendix | Gareth R. Eaton | Sandra S. Eaton | Alessandro Lunghi
Source: Science Advances (article, 2025-02-12)
Field: Chemistry — Physical and Theoretical Chemistry

The role of electronic excited states in the spin-lattice relaxation of spin-1/2 molecules Magnetic resonance is a prime method for the study of chemical and biological structures and their dynamical processes. The interpretation of many of these experiments relies on understanding how the spin of unpaired electrons exchanges energy with their environment, or lattice, and relaxes to equilibrium. Here, we overcome the common use of effective spin Hamiltonians to describe spin-lattice relaxation in spin-1/2 and apply ab initio open quantum systems theory to their full molecular electronic wavefunction. Simulations for two Cr(V) coordination compounds under this framework show a marked improvement in accuracy and demonstrate that relaxation in spin-1/2 molecules is enabled by virtual transitions to molecular excited states with energy approaching 20,000 cm<sup>-1</sup>. This work establishes a connection between the original theory of Van Vleck and modern electronic structure methods, ultimately exemplifying the urgency of further advancing an ab initio approach to spin-lattice relaxation. Excited state ; Condensed matter physics ; Spin (aerodynamics) ; Lattice (music) ; Relaxation (psychology) ; Physics ; Materials science ; Atomic physics ; Biology Photochemistry and Electron Transfer Studies ; Magnetism in coordination complexes ; Advanced Chemical Physics Studies
Authors: Satyajith Shettigar | Mandya Channegowda Gowrishankar | Manjunath Shettar
Source: Molecules (review, 2025-07-22)
Field: Materials Science — Polymers and Plastics

Review on Aging Behavior and Durability Enhancement of Bamboo Fiber-Reinforced Polymer Composites This review article focuses on the long-term durability challenges associated with bamboo fiber-reinforced polymer composites when subjected to various environmental aging conditions such as water immersion, hygrothermal fluctuations, ultraviolet (UV) radiation, soil burial, and refrigerated storage. The primary issue addressed is the degradation of mechanical and structural performance of bamboo fiber-reinforced polymer composites due to moisture absorption, fiber swelling, and fiber-matrix interface deterioration. To mitigate these aging effects, the study evaluates and compares multiple strategies, including chemical and physical fiber surface treatments, filler additions, and fiber hybridization, which aim to enhance moisture resistance and mechanical stability. These composites are relevant in automotive interiors, construction panels, building insulation, and consumer goods due to their eco-friendly nature and potential to replace conventional synthetic composites. This review is necessary to consolidate current knowledge, identify effective enhancement approaches, and guide the development of environmentally resilient bamboo fiber-reinforced polymer composites for real-world applications. Durability ; Materials science ; Composite material ; Bamboo ; Fiber ; Moisture ; Environmentally friendly ; Absorption of water ; Polymer Natural Fiber Reinforced Composites ; Bamboo properties and applications ; Textile materials and evaluations
Authors: Melissa Bosch | Maxim R. Shcherbakov | Kanghee Won | Hong‐Seok Lee | Young‐Min Kim | Gennady Shvets
Source: ACS Photonics (article, 2025-01-08)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Voltage-Tunable Multifunctional Zoom Imaging Metalenses Many contemporary imaging systems seek tunable focusing components with minimal form factors and versatile functionalities; however, existing solutions are typically limited in size, efficiency, and tuning speed. Here, low-loss all-dielectric metasurfaces integrated with liquid crystals (LCs) are used to demonstrate highly compact multifunctional zoom components. The phase profiles imparted by the metalens are modulated in real time by means of field-dependent LCs, enabling electrically driven continuous focal length variation and active bifocal imaging with low applied voltages (<10 V). These applications are achieved through the systematic design and validation of resonant metasurface elements that ensure the desired metalens response in each LC state. We engineer and fabricate a high-contrast voltage-actuated continuous-zoom LC-metalens with up to 18% total shift in focal length. Additionally, we fabricate simplified large-diameter LC-metalenses, composed of only a few resonator types, that facilitate electrically tunable multidepth imaging. These results demonstrate the promise of electrically controlled LC-embedded zoom-metasurfaces to serve as lightweight and ultrathin multifunctional focusing components, with prospective uses in next-generation imaging devices. Zoom ; Materials science ; Optoelectronics ; Voltage ; Optical imaging ; Nanotechnology ; Optics ; Physics ; Electrical engineering ; Engineering Metamaterials and Metasurfaces Applications ; Advanced Optical Imaging Technologies ; Random lasers and scattering media
Authors: Arthur Declercq | Robbe Devreese | Jonas Scheid | Caroline Jachmann | Tim Van Den Bossche | Annica Preikschat | David Gómez-Zepeda | Jeewan Babu Rijal | Aurélie Hirschler | Jonathan R. Krieger | Tharan Srikumar | George Rosenberger | Claudia Martelli | Dennis Trede | Christine Carapito | Stefan Tenzer | Juliane S. Walz | Sven Degroeve | Robbin Bouwmeester | Lennart Martens | Ralf Gabriels
Source: Journal of Proteome Research (article, 2025-02-07)
Field: Chemistry — Spectroscopy

TIMS<sup>2</sup>Rescore: A Data Dependent Acquisition-Parallel Accumulation and Serial Fragmentation-Optimized Data-Driven Rescoring Pipeline Based on MS<sup>2</sup>Rescore The high throughput analysis of proteins with mass spectrometry (MS) is highly valuable for understanding human biology, discovering disease biomarkers, identifying therapeutic targets, and exploring pathogen interactions. To achieve these goals, specialized proteomics subfields, including plasma proteomics, immunopeptidomics, and metaproteomics, must tackle specific analytical challenges, such as an increased identification ambiguity compared to routine proteomics experiments. Technical advancements in MS instrumentation can mitigate these issues by acquiring more discerning information at higher sensitivity levels. This is exemplified by the incorporation of ion mobility and parallel accumulation and serial fragmentation (PASEF) technologies in timsTOF instruments. In addition, AI-based bioinformatics solutions can help overcome ambiguity issues by integrating more data into the identification workflow. Here, we introduce TIMS<sup>2</sup>Rescore, a data-driven rescoring workflow optimized for DDA-PASEF data from timsTOF instruments. This platform includes new timsTOF MS<sup>2</sup>PIP spectrum prediction models and IM2Deep, a new deep learning-based peptide ion mobility predictor. Furthermore, to fully streamline data throughput, TIMS<sup>2</sup>Rescore directly accepts Bruker raw mass spectrometry data and search results from ProteoScape and many other search engines, including Sage and PEAKS. We showcase TIMS<sup>2</sup>Rescore performance on plasma proteomics, immunopeptidomics (HLA class I and II), and metaproteomics data sets. TIMS<sup>2</sup>Rescore is open-source and freely available at https://github.com/compomics/tims2rescore. Computer science ; Proteomics ; Workflow ; Pipeline (software) ; Metaproteomics ; Identification (biology) ; Fragmentation (computing) ; Computational biology ; Data mining ; Bioinformatics ; Data science ; Chemistry ; Biology ; Database Advanced Proteomics Techniques and Applications ; Mass Spectrometry Techniques and Applications ; Machine Learning in Bioinformatics
Authors: Han‐Mo Yang
Source: Pharmaceutics (review, 2025-08-11)
Field: Materials Science — Biomaterials

Overcoming the Blood–Brain Barrier: Advanced Strategies in Targeted Drug Delivery for Neurodegenerative Diseases The increasing global health crisis of neurodegenerative diseases such as Alzheimer's, Parkinson's, amyotrophic lateral sclerosis, and Huntington's disease is worsening because of a rapidly increasing aging population. Disease-modifying therapies continue to face development challenges due to the blood-brain barrier (BBB), which prevents more than 98% of small molecules and all biologics from entering the central nervous system. The therapeutic landscape for neurodegenerative diseases has recently undergone transformation through advances in targeted drug delivery that include ligand-decorated nanoparticles, bispecific antibody shuttles, focused ultrasound-mediated BBB modulation, intranasal exosomes, and mRNA lipid nanoparticles. This review provides an analysis of the molecular pathways that cause major neurodegenerative diseases, discusses the physiological and physicochemical barriers to drug delivery to the brain, and reviews the most recent drug targeting strategies including receptor-mediated transcytosis, cell-based "Trojan horse" approaches, gene-editing vectors, and spatiotemporally controlled physical methods. The review also critically evaluates the limitations such as immunogenicity, scalability, and clinical translation challenges, proposing potential solutions to enhance therapeutic efficacy. The recent clinical trials are assessed in detail, and current and future trends are discussed, including artificial intelligence (AI)-based carrier engineering, combination therapy, and precision neuro-nanomedicine. The successful translation of these innovations into effective treatments for patients with neurodegenerative diseases will require essential interdisciplinary collaboration between neuroscientists, pharmaceutics experts, clinicians, and regulators. Medicine ; Neuropsychopharmacology ; Drug delivery ; Disease ; Nanomedicine ; Blood–brain barrier ; Targeted drug delivery ; Transcytosis ; Neuroscience ; Translational research ; Drug ; Bioinformatics ; Pharmacology ; Biology ; Nanotechnology ; Receptor ; Pathology ; Central nervous system ; Internal medicine Nanoparticle-Based Drug Delivery ; Adenosine and Purinergic Signaling ; Barrier Structure and Function Studies
Authors: Greta Šneiderienė | Alicia González Díaz | Sourav Dasadhikari | Jiapeng Wei | Thomas C. T. Michaels | Tomas Šneideris | Sara Linse | Michele Vendruscolo | Kanchan Garai | Tuomas P. J. Knowles
Source: Proceedings of the National Academy of Sciences (article, 2025-01-24)
Field: Materials Science — Biomaterials

Lipid-induced condensate formation from the Alzheimer’s Aβ peptide triggers amyloid aggregation The onset and development of Alzheimer's disease is linked to the accumulation of pathological aggregates formed from the normally monomeric amyloid-β peptide within the central nervous system. These Aβ aggregates are increasingly successfully targeted with clinical therapies at later stages of the disease, but the fundamental molecular steps in early stage disease that trigger the initial nucleation event leading to the conversion of monomeric Aβ peptide into pathological aggregates remain unknown. Here, we show that the Aβ peptide can form biomolecular condensates on lipid bilayers both in molecular assays and in living cells. Our results reveal that these Aβ condensates can significantly accelerate the primary nucleation step in the amyloid conversion cascade that leads to the formation of amyloid aggregates. We show that Aβ condensates contain phospholipids, are intrinsically heterogeneous, and are prone to undergo a liquid-to-solid transition leading to the formation of amyloid fibrils. These findings uncover the liquid-liquid phase separation behavior of the Aβ peptide and reveal a molecular step very early in the amyloid-β aggregation process. Peptide ; Chemistry ; P3 peptide ; Amyloid (mycology) ; Nucleation ; Fibril ; Biophysics ; Monomer ; Protein aggregation ; Alzheimer's disease ; Biochemistry ; Amyloid precursor protein ; Disease ; Biology ; Internal medicine ; Medicine Supramolecular Self-Assembly in Materials ; Alzheimer's disease research and treatments ; Lipid Membrane Structure and Behavior