jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Florian Robert | Alexia Calovoulos | Laurent Facq | Fanny Decoeur | Etienne Gontier | Christophe F. Grosset | Baudouin Denis de Senneville
Source:  (article, 2025-04-14)
Field: Materials Science — Surfaces, Coatings and Films

Improving Cell Instance Segmentation in Scanning Electron Microscopy via Semantic Image Synthesis Understanding tumour tissue architecture is essential for advancing new therapies and necessitates accurate cell instance segmentation in serial scanning electron microscopy (SEM) images. While artificial intelligence (AI)-based methods are effective for this task, errors persist in poor-quality cell contours, requiring manual gap filling. This study addresses cell labelling and contour segmentation by supplementing a standard segmentation technique (nnU-Net) by a specialized cell contour filling network. To train the latter, our approach utilizes a generative adversarial network (GAN)-based image synthesis method to generate realistic disturbed contour maps from randomized coarse cell contour semantic maps (CCSM). Subsequently, cell labelling was produced using the enhanced contours. Our approach was evaluated on private serial block face-SEM (SBF-SEM) images of hepatoblastoma tissues, achieving accurate cell labelling (70.8% labelling) and cell delineations (centerline Dice (clDice)= 0.91). This outperforms the state-of-the-art Cellpose algorithm (29.2% labelling, clDice= 0.34), opening the path to bioarchitecture investigations. Image segmentation ; Computer science ; Artificial intelligence ; Segmentation ; Scanning electron microscope ; Electron microscope ; Microscopy ; Materials science ; Computer vision ; Physics ; Optics Electron and X-Ray Spectroscopy Techniques ; Cell Image Analysis Techniques ; Advanced Electron Microscopy Techniques and Applications
Authors: Minjiang Zhu | Derrick M. Sanders | Yun Seong Kim | Rohan Shah | Mohammad Tanver Hossain | Randy H. Ewoldt | Sameh Tawfick | Philippe H. Geubelle
Source: Physical review. E (article, 2025-06-20)
Field: Chemistry — Organic Chemistry

Curvature effects in the reaction-diffusion system governing frontal polymerization Frontal polymerization is a fast and energy-efficient curing process of thermoset polymers involving the self-sustained propagation of a sharp front that transforms a liquid monomer or gel into a polymer. The temperature, speed, and geometry of the polymerization front are closely intertwined quantities that can affect the curing process and the mechanical properties of the polymer. This work investigates the effect of the front curvature on the front propagation speed based on a reaction-diffusion model. The proposed analytical relations between front speed and curvature are verified by finite element simulations and validated through experiments. The models show that a concave front has a higher front temperature and speed than its convex counterpart. When the curvature of a convex front reaches a critical value, the reaction can no longer be sustained, and the front is quenched. The relation between the speed of a steadily propagating front and its geometry is derived, showing good agreement with experimental observations. This study also provides analytical estimates of the thickness of the polymerization front and insight into the relationship between the front curvature and the kinetics of the exothermic reaction. Diffusion ; Curvature ; Polymerization ; Reaction–diffusion system ; Materials science ; Mechanics ; Physics ; Thermodynamics ; Polymer ; Geometry ; Mathematics ; Composite material Photopolymerization techniques and applications
Authors: Wei Wu | Bo Fan | Qingqing Zhou | Qingyong Zhao | Yi Zhong | Hong Xu | Jian Wang | Zhiping Mao
Source: Coloration Technology (article, 2025-01-01)
Field: Materials Science — Polymers and Plastics

Influence of the relaxation behaviour of polyester molecular chains in supercritical carbon dioxide fluid on dyeing performance Abstract This study investigated the mechanism of dye uptake in supercritical carbon dioxide fluid (ScCO 2 ) by examining fibre swelling and molecular chain relaxation. The swelling rate of 30 D/3 Fila polyester fibres was tested under varying temperatures and pressures using a high‐temperature and high‐pressure in situ imaging platform. The swelling rate increased with temperature and pressure, but the rate of increase slowed above 100°C. The Williams–Landel–Ferry equation was used to analyse the relationship between the thermal relaxation of polyester macromolecular chains and dye uptake at high pressure (27 MPa) during ScCO 2 dyeing. For dyes with poor solubility, dyeing behaviour above 100°C aligns closely with the free volume diffusion model. Conversely, for dyes with good solubility, dyeing behaviour follows the free volume diffusion model within the 50‐100°C range and reaches equilibrium above 100°C. Dyeing ; Supercritical carbon dioxide ; Polyester ; Supercritical fluid ; Carbon dioxide ; Relaxation (psychology) ; Chemical engineering ; Chemistry ; Materials science ; Organic chemistry Polymer Foaming and Composites ; Photopolymerization techniques and applications ; Cultural Heritage Materials Analysis
Authors: Qichao Liang | Qiang Ma | Hao Wu | Rongshun Lai | Q. S. Wang | Zhibin Li | Haibo Xu | Yangyang Zhang | Tao Qi
Source: Journal of Magnetism and Magnetic Materials (article, 2025-04-14)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Concentration extraction and spatial distribution identification of heavy rare earth in EPMA images of sintered Nd–Fe–B Materials science ; Electron microprobe ; Spatial distribution ; Extraction (chemistry) ; Rare earth ; Identification (biology) ; Analytical Chemistry (journal) ; Earth (classical element) ; Metallurgy ; Environmental chemistry ; Remote sensing ; Physics ; Chromatography ; Geology ; Chemistry Magnetic Properties of Alloys ; Nuclear Physics and Applications ; X-ray Diffraction in Crystallography
Authors: X Zhang | Z. Li | Bin Zhang | Wenchao Meng | Yuefei Zhang | Chaojie Gu | Xianjue Ye | Ze Zhang
Source: Ultramicroscopy (article, 2025-09-13)
Field: Materials Science — Surfaces, Coatings and Films

ETDMS: Efficient two-stage diffusion model for accelerated SEM image super-resolution Scanning electron microscope ; Image (mathematics) ; Image quality ; Diffusion ; Noise reduction ; Image resolution ; Sampling (signal processing) ; Resolution (logic) Electron and X-Ray Spectroscopy Techniques ; Advanced Electron Microscopy Techniques and Applications ; Advanced X-ray Imaging Techniques
Authors: Steffen Tober | Jan‐Christian Schober | Marcus Creutzburg | E. Beck | Guilherme Dalla Lana Semione | Simon Chung | Leon Jacobse | Björn Arndt | Alina Vlad | René Steinbrügge | Hans‐Christian Wille | I. Sergueev | Heshmat Noei | Kai Schlage | O. Leupold | Vedran Vonk | Andreas Stierle
Source: Physical Review Letters (article, 2025-06-13)
Field: Materials Science — Materials Chemistry

Site-Resolved Near-Surface Cation Diffusion in Magnetite In situ nuclear forward scattering shows a thermally induced cation exchange between a ^{57}Fe_{3}O_{4} thin-film and a Fe_{3}O_{4} (001) substrate predominantly in the octahedral sublattice for a temperature range between 470 and 710 K. The overall activation barrier in this temperature range is found to be 19±32 kJ/mol, which is significantly lower than expected from extrapolating a bulk diffusion model. This observation can be attributed to the large out-of-equilibrium cation deficit as determined by surface x-ray diffraction. Despite the relatively low hopping barrier, the diffusion constant is about 5 orders of magnitude lower than expected for magnetite having an equilibrium cation stoichiometry. The results are relevant for applications relying on the near-surface structure and stoichiometry of magnetite, and we argue that the correlation between cation diffusion and stoichiometry may play a role for a wider range of oxide materials. Magnetite ; Materials science ; Diffusion ; Surface (topology) ; Chemical physics ; Physics ; Thermodynamics ; Metallurgy Magnetic Properties and Synthesis of Ferrites ; Iron oxide chemistry and applications ; Minerals Flotation and Separation Techniques
Authors: Sonia | S. K. Tak | Varsha Singh | O. P. Thakur | R. P. Srivastava | Avinash Kumar | Vinamrita Singh
Source: Journal of Electronic Materials (article, 2025-09-18)
Field: Chemistry — Inorganic Chemistry

Adsorption of Methylene Blue by HKUST-1 MOFs Synthesized Using Room Temperature and Solvothermal Methods Adsorption ; Methylene blue ; Langmuir ; Diffusion ; Freundlich equation ; Zeta potential ; Porosity ; Kinetic energy Metal-Organic Frameworks: Synthesis and Applications ; X-ray Diffraction in Crystallography ; Dendrimers and Hyperbranched Polymers
Authors: Yi Luo | Cheng Zhang | Bangdou Huang | Chengyan Ren | Tao Shao
Source: Physics of Plasmas (article, 2025-02-01)
Field: Materials Science — Materials Chemistry

Numerical simulation of surface charge accumulation under negative discharge of different humidities and pressures The surface discharge phenomenon of polymers severely limits their applications in electrical and electronic devices, especially in complex environments. In this study, a drift-diffusion model based on a hydrodynamic approach was developed to investigate the influence of humidity and gas pressure on the negative surface discharge. The results indicate that the discharge pattern did not change under different humidity conditions. The increased humidity accelerated the formation of discharges and increased the discharge pulse current. In particular, as the humidity increased, tiny pulses occurred at the tail of the first pulse, and the number of tiny pulses increased. The appearance of these tiny pulses changed the surface charge distribution from a “ring-like” distribution to a “spot-like” distribution. Meanwhile, the accumulation of surface charges significantly distorted the spatial electric field distribution and suppressed the electron multiplication stage of the subsequent discharges, thus reducing the current in the Trichel pulse discharge stage. It is precisely because the discharge is stronger under high humidity, resulting in more surface charges accumulating on the surface, which is in keeping with the experimental results. The measured charges at different humidities show a similar distinct spot-like distribution, illustrating a constant pattern of discharge. All these results demonstrated the correctness and applicability of the simulation. The surface discharge under different pressures exhibited some similarities with the case of different humidity levels. As the pressure increased, the number of discharge current pulses and the pulse amplitude decreased, resulting in a decrease in the surface charge density. Physics ; Charge (physics) ; Mechanics ; Plasma ; Computer simulation ; Surface (topology) ; Atomic physics ; Atmospheric sciences ; Statistical physics ; Nuclear physics ; Quantum mechanics ; Geometry High voltage insulation and dielectric phenomena ; Plasma Applications and Diagnostics ; Electrohydrodynamics and Fluid Dynamics
Authors: Daniel Glückman | Francesca Quinto | Claudia Joseph | Volker Metz | Karin Hain | Peter Steier | Hörst Geckeis
Source: Environmental Science & Technology (article, 2025-04-23)
Field: Chemistry — Inorganic Chemistry

Diffusion of U(VI) in Opalinus Clay Studied down to Ultratrace Levels Natural clay rocks, such as Opalinus Clay (OPA), are considered as potential host rocks for the disposal of high-level nuclear waste due to their ability to limit radionuclide transport to molecular diffusion. Laboratory studies related to the investigation of radionuclide diffusion behavior are usually performed at relatively high concentrations. For instance, U diffusion in clay rocks has been investigated at concentrations as low as approximately 10<sup>-4</sup> mol·m<sup>-3</sup> clay. This study addresses <sup>233</sup>U(VI) diffusion in OPA down to ultratrace concentrations of 10<sup>-9</sup> mol·m<sup>-3</sup> using accelerator mass spectrometry. Fitting of the experimental data with a one-dimensional pore diffusion model revealed no significant changes in the U(VI) effective diffusion coefficient (<i>D</i><sub>e</sub>) over the investigated concentration range of 10<sup>-3</sup> to 10<sup>-9</sup> mol·m<sup>-3</sup>. Such concentration-independent behavior constitutes valuable information for the prediction of long-term U(VI) migration in geological repositories with OPA as host rock. Diffusion ; Chemistry ; Environmental chemistry ; Environmental science ; Mineralogy ; Thermodynamics ; Physics Radioactive element chemistry and processing ; Groundwater flow and contamination studies ; Geochemistry and Geologic Mapping
Authors: Simon Helmer | Robert Morasch | Josef Keilhofer | Hubert A. Gasteiger | Bharatkumar Suthar
Source: Journal of The Electrochemical Society (article, 2025-04-16)
Field: Materials Science — Materials Chemistry

LiC<sub>6</sub> Phase Mobility in Highly Oriented Pyrolytic Graphite Determining the solid diffusion coefficient of lithium in graphite anode active materials for lithium-ion batteries is challenging due to the complex intercalation dynamics, the structural complexity, particle size/shape distribution, and the superposition of liquid electrolyte transport processes in the pores of an electrode. To minimize these influences, we examined the lithiation of highly oriented pyrolytic graphite (HOPG) disk electrodes, with the basal planes stacked normal to the disk thickness (0.5 mm). At first, the radially progressing lithiation of the HOPG disks was followed in situ by top-view optical monitoring of the golden LiC 6 phase. However, post-mortem analysis of split HOPG disks revealed that HOPG crystal surface imperfections lead to the artefact that the apparent LiC 6 phase progression determined from top-view images does not correspond to that in the bulk of the disks. Thus, the LiC 6 phase front position can only be quantified through post-mortem analysis of split HOPG disks. The intercalation time and temperature dependence of the LiC 6 phase progression can be reasonably well described by a Fickian diffusion model in cylindrical geometry, yielding an apparent diffusion coefficient of the LiC 6 phase front of D 0 = 0.6–1.0 × 10 −13 m 2 s −1 at 25 °C, with an activation energy of E a = 35.4–39.0 kJ mol −1 (between 10–55 °C). Pyrolytic carbon ; Graphite ; Phase (matter) ; Highly oriented pyrolytic graphite ; Materials science ; Chemistry ; Chemical engineering ; Composite material ; Pyrolysis ; Engineering ; Organic chemistry Graphite, nuclear technology, radiation studies ; Fiber-reinforced polymer composites ; Recycling and Waste Management Techniques
Authors: Ishfaq Ahmad Rather | Suhail Ayoub Khan | Rashid Ali | Tabrez Alam Khan
Source: ChemistrySelect (article, 2025-01-30)
Field: Chemistry — Inorganic Chemistry

One‐Walled Phthalimide Extended Calix[4]Pyrrole‐Based Supramolecular Adsorbent for Alleviating Nitrate From Simulated Water Abstract In this investigation, meso ‐substituted one‐walled phthalimide appended calix[4]pyrrole ( m Pth–C4P) was prepared from pthalimide functionalized dipyrromethane (DPM, 4 ), acetone, and freshly distilled pyrrole via both conventional as well as green protocols utilizing the deep eutectic solvent (DES) of N,N' ‐dimethyl urea (DMU) &amp; l ‐(+)‐tartaric acid (TA) in an appropriate ratio of 7:3. In order to lessen the nitrate (NO 3 − ) ion endowed eutrophication peril, the m Pth–C4P was effectively employed as a supramolecular adsorbent for the sequestration of NO 3 − ion from aquatic phase. The m Pth–C4P was extensively characterized by FTIR, 1 H‐NMR, SEM–EDX, and elemental mapping to corroborate the synthesis and adsorption of NO 3 − ion. The surface area was found to be 11.465 m 2 g −1 and the pore size of 3.2 nm, pointed out to the mesoporous nature of m Pth–C4P. Batch methodology was exploited for detailing the influence of process parameters on %efficiency and adsorption capacity. The m Pth–C4P demonstrated excellent adsorption competence (&gt; 91%) within 16 min from a [NO 3 − ] of 20 mg L −1 , which translates into a good pseudo‐second order rate constant value of 0.026 g mg −1 min −1 . Freundlich model was the best‐fit model pointing out multilayer adsorption. The maximum saturation capacity was 239.03 mg g ‒1 at 298 K, which is far better than most of the reported adsorbents indicating the potential of m Pth–C4P to confiscate NO 3 − . The dynamics appraisal elucidated pseudo‐second order to favor the uptake with both intraparticle and liquid film diffusion models governing the rate of reaction. Thermodynamic parameters suggested that the uptake of NO 3 − was spontaneous, favorable, and exothermic which is in harmony with the isotherm studies. The m Pth–C4P can be used consecutively up to 4 cycles along with good potential in real water &gt; 80% uptake. All these results established m Pth–C4P as an efficacious scavenger for NO 3 − from simulated water. Phthalimide ; Nitrate ; Adsorption ; Supramolecular chemistry ; Pyrrole ; Chemistry ; Materials science ; Organic chemistry ; Molecule Metal-Organic Frameworks: Synthesis and Applications ; Covalent Organic Framework Applications ; Chemical Synthesis and Characterization
Authors: Yu Wang | Zikang Liu | Qiankun Zhao | Hailun Zhang | Ying Zhen | Guiyi Wu | Yuguang Cao
Source: Engineering Failure Analysis (article, 2025-07-23)
Field: Materials Science — Metals and Alloys

Study on the effect of welding residual stress on hydrogen diffusion behavior in cracked pipeline girth welds Girth (graph theory) ; Residual stress ; Welding ; Materials science ; Pipeline (software) ; Diffusion ; Structural engineering ; Composite material ; Metallurgy ; Residual ; Engineering ; Mechanical engineering ; Computer science ; Physics ; Mathematics ; Thermodynamics Hydrogen embrittlement and corrosion behaviors in metals ; Welding Techniques and Residual Stresses ; Material Properties and Failure Mechanisms
Authors: Yuna Han | Mickaël Rivallan | Kim Larmier | Gerhard D. Pirngruber
Source: Microporous and Mesoporous Materials (article, 2025-07-03)
Field: Chemistry — Inorganic Chemistry

On the use of a bulky base for evaluating the accessibility of Brønsted acid sites in USY zeolites Brønsted–Lowry acid–base theory ; Zeolite ; Chemistry ; Base (topology) ; Catalysis ; Organic chemistry ; Mathematics Zeolite Catalysis and Synthesis ; Chemical Synthesis and Characterization ; Catalysis and Oxidation Reactions
Authors: Ganeshkumar Govindasamy | A. Babu Ponnusami
Source: Journal of Metals Materials and Minerals (article, 2025-08-28)
Field: Materials Science — Materials Chemistry

Facile bio-synthesis of cerium oxide nanoparticles, characterization and their photocatalytic potential in the degradation of real tannery wastewater Abstract The sustainable metal oxide photocatalysts using plant extract presents a viable alternative to conventional chemical synthesis techniques. In this study, spherical shaped cerium oxide nanoparticles were synthesized using ammonium ceric nitrate and Peepal Leaves (PL) extracted and used as a photocatalyst to remove hexavalent chromium and chemical oxygen demand from actual tannery wastewater. The characterization of cerium oxide nanoparticles was carried out using UV-Visible spectroscopy, X-ray diffraction, Fourier-transform infrared spectroscopy, Brunauer-Emmett-Teller surface area analysis, Field Emission-Scanning Electron Microscopy with energy-dispersive X-ray spectroscopy, Raman analysis, High Resolution-Transmission Electron Microscopy and Zeta potential analysis. The band gap energy of 3.25 eV was observed through TAUC plot and the BET surface area, pore volume and pore diameter were measured as 33.545 m²/g, 0.094 cm³/g, and 1.433 nm respectively, indicates the characteristics of mesoporous photocatalyst. 77.2 % of chemical oxygen demand and 84.5 % of chromium (VI) removal was observed at an optimal condition of pH 7, H2O2 concentration 0.0195 mL and cerium oxide dosage of 0.04 g/250ml. The experimental results were well fitted with the pseudo-first order kinetics with the rate constant values of 0.0597 min-1 with the R2 value of 0.9906. Also, the repeatability studies demonstrate that the cerium oxide nanoparticles are found to be unaffected. These studies confirmed that the nanoparticles produced through bio-synthesis method are potential photocatalyst for treating real tannery wastewater. Keywords: Cerium oxide; Bio – synthesis; Photo catalysts; Nanoceria particles; Peepal leaves. Materials science ; Photocatalysis ; Cerium oxide ; Wastewater ; Degradation (telecommunications) ; Characterization (materials science) ; Nanoparticle ; Cerium ; Oxide ; Chemical engineering ; Nanotechnology ; Waste management ; Catalysis ; Metallurgy ; Organic chemistry ; Computer science Advanced Nanomaterials in Catalysis ; Advanced Photocatalysis Techniques ; Nanoparticles: synthesis and applications
Authors: Almas | Tayyaba Shahzadi | Tauheeda Riaz | Maria Zaib | Mohammad Kashif Uddin
Source: Water and Environment Journal (article, 2025-01-09)
Field: Chemistry — Inorganic Chemistry

Hydrogel‐based metal–organic frameworks doped into Mn/Ni oxide for the effective removal of ciprofloxacin antibiotic from water Abstract This study aimed to synthesize and evaluate the adsorption properties of a novel, recyclable, and environmentally friendly nanocomposite containing metal–organic frameworks (MOFs) and a biopolymer hydrogel infused with a nanocatalyst. Copper MOFs were prepared via aqueous synthesis. A green nanocatalyst composed of Mn/Ni oxide was synthesized utilizing the Dalbergia sissoo plant. Hydrogel‐based Mn/Ni oxide doped CuMOFs (doped‐CuMOFs/Hy) were finally prepared. The structure and composition of doped‐CuMOFs/Hy have been confirmed through various characterization analyses. The doped‐CuMOFs/Hy effectively removed 99% of the ciprofloxacin (CIP) from the aqueous solution under optimal conditions of pH 8, a 60‐minute duration, an adsorbent dose of 0.03 g, and a CIP concentration of 25 mg/L. It had a maximum adsorption capacity of 4525.29 mg/g. The mechanism was summarized by linear and non‐linear isotherm and kinetic models. The reusability test after five cycles showed 81% CIP removal. Successfully implementing this material in industrial water systems could have a significant impact on environmental research. Additionally, its cost‐effectiveness would provide substantial benefits to global economy. Ciprofloxacin ; Doping ; Metal-organic framework ; Metal ; Oxide ; Antibiotics ; Environmental chemistry ; Chemistry ; Inorganic chemistry ; Materials science ; Nuclear chemistry ; Metallurgy ; Organic chemistry ; Adsorption ; Optoelectronics Metal-Organic Frameworks: Synthesis and Applications ; Covalent Organic Framework Applications ; Advanced Nanomaterials in Catalysis