jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Zhengjian Wang | Xichun Luo | Jining Sun | Wenkun Xie | Yinchuan Piao | Yonghang Jiang | Xiuyuan Chen
Source: Micromachines (article, 2025-01-19)
Field: Materials Science — Biomaterials

Investigation of Chip Morphology in Elliptical Vibration Micro-Turning of Silk Fibroin Silk fibroin, known for its biocompatibility and biodegradability, holds significant promise for biomedical applications, particularly in drug delivery systems. The precise fabrication of silk fibroin particles, specifically those ranging from tens of nanometres to hundreds of microns, is critical for these uses. This study introduces elliptical vibration micro-turning as a method for producing silk fibroin particles in the form of cutting chips to serve as carriers for drug delivery systems. A hybrid finite element and smoothed particle hydrodynamics (FE-SPH) model was used to investigate how vibration parameters, such as frequency and amplitude, influence chip formation and morphology. This research is essential for determining the size and shape of silk fibroin particles, which are crucial for their effectiveness in drug delivery systems. The results demonstrate the superior capability of elliptical vibration micro-turning for producing shorter, spiral-shaped chips in the size range of tens of microns, in contrast to the long, continuous chips with zig-zag folds and segmented edges generated by conventional micro-turning. The unique zig-zag shapes result from the interplay between the high flexibility and hierarchical structure of silk fibroin and the controlled cutting environment provided by the diamond tool. Additionally, higher vibration frequencies and lower vertical amplitudes promote chip curling, facilitate breakage, and improve chip control, while reducing cutting forces. Experimental trials further validate the accuracy of the hybrid model. This study represents a significant advancement in the processing of silk fibroin film, offering a complementary approach to fabricating short, spiral-shaped silk fibroin particles with a high surface-area-to-volume ratio compared to traditional spheroids, which holds great potential for enhancing drug-loading efficiency in high-precision drug delivery systems. Fibroin ; Materials science ; SILK ; Vibration ; Nanotechnology ; Composite material ; Fabrication ; Spiral (railway) ; Mechanical engineering ; Engineering ; Acoustics Silk-based biomaterials and applications ; RNA Interference and Gene Delivery ; Electrospun Nanofibers in Biomedical Applications
Authors: Sebastian Hendrickx‐Rodriguez | David Lentink
Source: Journal of The Royal Society Interface (review, 2025-04-01)
Field: Materials Science — Biomaterials

The feather’s multi-functional structure across nano to macro scales inspires hierarchical design Bird feathers are finely tuned structures with key features at every length scale, from nanometre to metre, furnishing a unique multi-functional hierarchical design that can inspire material scientists, biologists and designers alike. Feathers are not only a crucial component in equipping birds with flight, but are also responsible for thermoregulation, coloration and crypsis, water repellency, silencing and sound production, sensing, directional fastening and even self-healing. Despite this broad multifunctionality, all feathers are formed from the same basic template using a universal building block: the feather keratin protein. Consequently, feather diversity across approximately 10 000 bird species arises from subtle differences in architecture rather than variations in chemical composition. To understand these underlying hierarchical mechanisms, we systematically review feather properties across all length scales, connecting development and morphogenesis to biomechanics and integrated structure-property-function relationships. This systematic distillation of the feather's complex design into comprehensive principles will enkindle new biohybrid, biomimetic and bioinspired material solutions. Feather ; Architecture ; Form and function ; Camouflage ; Nanotechnology ; Ecology ; Biology ; Evolutionary biology ; Materials science Silk-based biomaterials and applications ; Surface Modification and Superhydrophobicity ; Photonic Crystals and Applications
Authors: Lobna Saeed | Michael Fischer
Source: Applied Sciences (article, 2025-04-03)
Field: Chemistry — Inorganic Chemistry

Computational Insights into Aluminum and Cation Placement in Clinoptilolite: Optimizing DFT Parameters for Natural Zeolites, Part I Several experimental studies have shown that clinoptilolite zeolite is a suitable candidate for the adsorption of pharmaceuticals and related compounds. However, there is a significant lack of detailed molecular-level insights regarding how the adsorbed species interact with the zeolite surface. In this work, we employ electronic structure calculations and propose a reliable set of input parameters within the CP2K code in the framework of dispersion-corrected density functional theory (DFT-D) to generate bulk models and study Al and cation distributions. We aim ultimately to investigate the adsorption of emerging contaminants at the clinoptilolite surfaces. Nine different exchange-correlation functionals were tested, and the results suggest that B97-D3 functional is the most robust for this system. Moreover, our results suggest that Na+ prefers the presence of Al at T2 and T3 sites but not at T1 sites and prefers being present in channel A and/or channel B. Ca2+ tends to favor being present in channel B and favors the presence of Al at T1, T2, and T3 sites. K+ prefers the smallest channel C and likes the presence of Al at T1 and T3 sites. Moreover, we found out that the optimization of the basis sets improves the coordination of extra-framework cations like Ca with the framework oxygens. Clinoptilolite ; Natural (archaeology) ; Aluminium ; Materials science ; Chemistry ; Zeolite ; Geology ; Metallurgy ; Organic chemistry Zeolite Catalysis and Synthesis ; Chemical Synthesis and Characterization
Authors: Meng Lv | Lei Kong | Q. Y. Zhang | Wenhao Su
Source: Sensors (article, 2025-07-18)
Field: Chemistry — Analytical Chemistry

Automated Discrimination of Appearance Quality Grade of Mushroom (Stropharia rugoso-annulata) Using Computer Vision-Based Air-Blown System The mushroom <i>Stropharia rugoso-annulata</i> is one of the most popular varieties in the international market because it is highly nutritious and has a delicious flavor. However, grading is still performed manually, leading to inconsistent grading standards and low efficiency. In this study, deep learning and computer vision techniques were used to develop an automated air-blown grading system for classifying this mushroom into three quality grades. The system consisted of a classification module and a grading module. In the classification module, the cap and stalk regions were extracted using the YOLOv8-seg algorithm, then post-processed using OpenCV based on quantitative grading indexes, forming the proposed SegGrade algorithm. In the grading module, an air-blown grading system with an automatic feeding unit was developed in combination with the SegGrade algorithm. The experimental results show that for 150 randomly selected mushrooms, the trained YOLOv8-seg algorithm achieved an accuracy of 99.5% in segmenting the cap and stalk regions, while the SegGrade algorithm achieved an accuracy of 94.67%. Furthermore, the system ultimately achieved an average grading accuracy of 80.66% and maintained the integrity of the mushrooms. This system can be further expanded according to production needs, improving sorting efficiency and meeting market demands. Grading (engineering) ; Stalk ; Mushroom ; Artificial intelligence ; Computer science ; Machine vision ; Computer vision ; Pattern recognition (psychology) ; Engineering ; Horticulture ; Botany ; Biology Spectroscopy and Chemometric Analyses ; Smart Agriculture and AI ; Fungal Biology and Applications
Authors: Dimitrios S. Kasampalis | Pavlos Tsouvaltzis | Anastasios S. Siomos
Source: Preprints.org (preprint, 2025-04-24)
Field: Chemistry — Analytical Chemistry

Assessment of Melon Fruit Nutritional Composition Using VIS/NIR/SWIR Spectroscopy Coupled with Chemometrics The objective of this study was to evaluate the feasibility of using visible, near-infrared and short-wave infrared (VIS/NIR/SWIR) spectroscopy coupled with chemometrics for non-destructive prediction of nutritional components in Galia-type melon fruit. A total of 175 fully ripened melons were analyzed for soluble solids content (SSC), dry matter (DM), pH, and titratable acidity (TA) using partial least squares regression (PLSR), principal components regression (PCR), and multilinear regression (MLR) models. Reflectance spectra were captured at three fruit locations (pedicel, equatorial, blossom end) in the 350–2500 nm range. PLSR models yielded the highest accuracy, particularly for SSC (R= 0.80) and SSC/TA (R= 0.79) using equatorial zone data. Genetic algorithm and variable importance in projection (VIP) analyses identified critical wavelengths around 680–720 nm and 900–1000 nm. The study demonstrates the potential of VIS/NIR/SWIR spectroscopy for rapid, non-destructive melon quality assessment, with implications for commercial postharvest management. Chemometrics ; Spectroscopy ; Melon ; Near-infrared spectroscopy ; Environmental chemistry ; Environmental science ; Chemistry ; Remote sensing ; Chromatography ; Geography ; Biology ; Horticulture ; Optics ; Physics Spectroscopy and Chemometric Analyses
Authors: Ming Chen | Lu Qi | Linwei Zhou | Muhammad Ahsan Iqbal | Sichao Dai | Xiaokeng Wu | Zelong Li | Rui Zhang | Hailin Wang | B. Fan | Lijuan Xiang | Houzhi Cai | Xianghua Kong | Y. J. Zeng
Source: Advanced Optical Materials (article, 2025-10-16)
Field: Materials Science — Materials Chemistry

Ferroelectrically‐Controlled Multi‐State Switching in AgVP <sub>2</sub> S <sub>6</sub> /WSe <sub>2</sub> van der Waals Heterojunctions for Efficient Visible‐To‐Near‐Infrared Photodetection Abstract 2D van der Waals (2D vdW) ferroelectric heterojunctions hold promise for advancing optoelectronic technologies. However, several challenges remain, such as carrier recombination and tunability. Here, AgVP 2 S 6 is introduced, a p ‐type ferroelectric semiconductor with a small bandgap of 0.43 eV, and designs a ferroelectrically controlled AgVP 2 S 6 /WSe 2 heterojunction photodetector. The type‐I band alignment enables the AgVP 2 S 6 layer to efficiently extract photogenerated electrons from WSe 2 , suppressing interfacial recombination and enhancing responsivity across visible to near‐infrared wavelengths. Particularly, the device exhibits three non‐volatile photoresponse states, rapidly switchable via ferroelectric polarization, showcasing reconfigurability in self‐powered photodetection. This work provides a pathway toward adaptive, multi‐functional optoelectronics for intelligent photodetection, infrared sensing, and optical memory applications. Heterojunction ; Photodetection ; Ferroelectricity ; Responsivity ; van der Waals force ; Semiconductor ; Reconfigurability ; Band gap 2D Materials and Applications ; Perovskite Materials and Applications ; Advanced Photocatalysis Techniques
Authors: Jothi Arunachalam Solairaju | Niyas Ahamed A
Source: Turkish Journal of Engineering (article, 2025-11-03)
Field: Materials Science — Polymers and Plastics

Impact of Hybrid Nanoparticle Inclusion and Fiber Layer Arrangement on the Jute/Kenaf/Glass Fiber Composite Laminates This study investigates the mechanical and thermal characteristics of hybrid composites made from jute, kenaf, and glass fibers, reinforced with varying proportions of nanographene nanoparticles and multi-walled carbon nanotubes (MWCNTs). Different nanofiller loadings were incorporated into composite samples and tested for tensile strength, flexural strength, fracture toughness, microhardness, moisture absorption, and thermal stability. Tensile and flexural tests assessed mechanical performance, while fracture toughness and microhardness measured resistance to crack initiation and surface deformation. Moisture absorption tests showed a significant reduction in water uptake with increasing nanographene and MWCNT content, indicating enhanced hydrophobicity and improved durability in humid environments. Thermal stability and degradation behavior were analyzed through thermogravimetric analysis (TGA), revealing that MWCNT addition positively influenced thermal resistance. Optimal mechanical and thermal properties were achieved with filler concentrations of 2 wt.% for MWCNTs and 3 wt.% for nanographene. These enhancements collectively demonstrate that reinforcing natural fiber-based hybrid composites with nanographene and MWCNTs significantly improves their strength, moisture resistance, and thermal stability. Utilizing natural resources such as jute and kenaf fibers supports sustainable development by providing eco-friendly alternatives to synthetic materials. As a result, these composites have promising potential as sustainable and high-performance alternatives to conventional structural materials in advanced engineering applications, particularly where enhanced durability and environmental exposure resistance are required. Flexural strength ; Kenaf ; Thermogravimetric analysis ; Ultimate tensile strength ; Composite number ; Thermal stability ; Carbon nanotube ; Durability ; Fracture toughness Natural Fiber Reinforced Composites ; Carbon Nanotubes in Composites ; Graphene research and applications
Authors: Niclas S. Mueller | Alexander P. Fellows | Ben John | Andrew E. Naclerio | Christian Carbogno | K. Gharagozloo-Hubmann | Damián Baláž | Ryan A. Kowalski | Hendrik H. Heenen | Christoph Scheurer | Karsten Reuter | Joshua D. Caldwell | Martin Wolf | Piran R. Kidambi | Martin Thämer | Alexander Paarmann
Source: Advanced Materials (article, 2025-11-20)
Field: Materials Science — Materials Chemistry

Full Crystallographic Imaging of Hexagonal Boron Nitride Monolayers with Phonon‐Enhanced Sum‐Frequency Microscopy Hexagonal boron nitride (hBN) is an important 2D material for van der Waals heterostructures, single photon emitters, and infrared nanophotonics. The optical characterization of mono- and few-layer samples of hBN however, remains a challenge as the material is almost invisible optically. Here, phase-resolved sum-frequency microscopy is introduced as a technique for imaging monolayers of hBN grown by chemical vapor deposition (CVD) and visualizing their crystal orientation. Femtosecond mid-infrared (IR) and visible laser pulses are used for sum-frequency generation (SFG), which is imaged in a wide-field optical microscope. The IR laser resonantly excites a phonon of hBN that leads to an ≈800-fold enhancement of the SFG intensity, making it possible to image large 100 × 100 µm<sup>2</sup> sample areas in less than 1 s. Heterodyne detection combined with azimuthal sample rotation further provides full crystallographic information. Combined knowledge of topography and crystal orientation reveals that triangular domains of CVD-grown monolayer hBN have nitrogen-terminated zigzag edges. Overall, SFG microscopy is an ultra-sensitive tool with the potential to image crystal structure, strain, stacking sequences, and twist angles in a wide range of van der Waals structures, where locating and identifying monolayer regions and interfaces with broken inversion symmetry is of paramount importance. Monolayer ; van der Waals force ; Femtosecond ; Microscopy ; Chemical vapor deposition ; Infrared microscopy ; Stacking ; Crystal (programming language) ; Optical microscope 2D Materials and Applications ; Graphene research and applications ; Thermal properties of materials
Authors: Eric Scherwietes | Mathias Stein | Johan Six | Titus Kiplagat Bawen | Jörg Schaller
Source: Frontiers in Environmental Science (article, 2025-07-02)
Field: Materials Science — Biomaterials

Phosphorus and aluminium mobilisation in ferralsols: effects of local sediment amendments, liming and straw application in a lab study Phosphorus (P) activation is a major challenge for agriculture on tropical soils like Ferralsols in East Africa, mainly due to soil acidity and high mobility of aluminium (Al). Strategies such as local sediment amendments and liming have shown potential to improve P availability in these soils. In this study, we performed three incubation experiments of soil slurries under laboratory conditions to investigate the temporal mobilisation of silicon (Si), iron (Fe), Al, and P by local sediment amendments. The three incubation experiments consisted of soil slurries with the following treatments: (i) solely two local sediment amendments (from Baringo and Nakuru) over 28 days; (ii) additional 0.15% liming treatment over 61 days; and (iii) straw addition under anoxic conditions over 80 days. We found that Fe reduction by straw addition increased P concentration in the soil solution by a factor of ten, independent of the sediment material. However, the effects of liming and sediment additions on P mobilisation were short-termed, characterised by an initial rapid release of P followed by a quick re-adsorption, precipitation or uptake of available P by soil microbes. Nevertheless, liming and sediment additions could have an indirect effect on P availability, as reduced Al reactivity—resulting from Si addition and potential Al-Si binding, as well as from the increase in pH—can lead to decreased P fixation. Straw ; Phosphorus ; Sediment ; Environmental science ; Aluminium ; Environmental chemistry ; Agronomy ; Chemistry ; Geology ; Biology Clay minerals and soil interactions ; Iron oxide chemistry and applications ; Phosphorus and nutrient management
Authors: Jesús D. Castaño | Francis Beaudry
Source: PROTEOMICS (article, 2025-02-02)
Field: Chemistry — Spectroscopy

Comparative Analysis of Data‐Driven Rescoring Platforms for Improved Peptide Identification in HeLa Digest Samples Mass spectrometry is a critical tool to understand complex changes in biological processes. Despite significant advances in search engine technology, many spectra remain unassigned. This research evaluates the performance of three rescoring platforms, Oktoberfest, MS<sup>2</sup>Rescore, and inSPIRE, using MaxQuant output. The results indicated a substantial increase in identifications at the peptide level (40%-53%) and PSM level (64%-67%). However, some peptides were lost due to limitations in processing posttranslational modifications (PTMs)-with up to 75% of lost peptides exhibiting PTMs. Each platform displayed distinct strengths and weaknesses. For instance, inSPIRE performed best in terms of peptide identifications and unique peptides, while MS<sup>2</sup>Rescore performed better for PSMs at higher FDR values. Differences in platform performance stemmed from different sources: original search engine feature selection, type of ion series predicted, retention time predictor, and PTMs compatibility. Overall, inSPIRE showed a superior ability to harness original search engine results. Taken all together, rescoring platforms clearly outperformed original search results; however, they demanded additional computation time (up to 77%) and manual adjustments. The findings here underline the necessity of integrating rescoring platforms into current proteomics pipelines but also address some challenges in their implementation and optimization. Future integrated platforms may help enhance adoption. Computer science ; Identification (biology) ; Proteomics ; Computational biology ; Data mining ; Bioinformatics ; Biology ; Gene ; Biochemistry Advanced Proteomics Techniques and Applications ; Mass Spectrometry Techniques and Applications ; Identification and Quantification in Food
Authors: Kunwoong Park | Youngki Yoo | H. C. Jeon | Kang Duk Choi | Eunju Kwon | Hyun–Ho Lim | Dong Young Kim | Kyoung Tai No
Source: bioRxiv (Cold Spring Harbor Laboratory) (preprint, 2025-07-04)
Field: Materials Science — Materials Chemistry

High-resolution cryo-EM structures of small protein–ligand complexes near the theoretical size limit ABSTRACT Cryo-electron microscopy (cryo-EM) is widely used to determine macromolecular structures at atomic resolution. The theoretical size lower limit of particles for cryo-EM analysis is 38 kDa, limited by factors such as contrast and particle alignment accuracy. To date, no cryo-EM structures have been reported for proteins near this size limit. This study presents cryo-EM structures of two protein-ligand complexes around 40 kDa. The structure of maltose-binding protein (43 kDa) was determined at 2.32 Å resolution, clearly revealing the bound maltose and water molecules. Additionally, the kinase domain of human PLK1 (37 kDa), slightly below the theoretical limit, was determined at 3.04 Å resolution, allowing the identification of the bound ligand, onvansertib. These findings demonstrate that cryo-EM can be effectively employed for structure determination and structure-based drug screening of small proteins or domains. Limit (mathematics) ; Resolution (logic) ; Ligand (biochemistry) ; High resolution ; Crystallography ; Chemistry ; Physics ; Materials science ; Chemical physics ; Mathematics ; Computer science ; Geology ; Mathematical analysis ; Remote sensing ; Receptor ; Biochemistry ; Artificial intelligence Enzyme Structure and Function ; Bacteriophages and microbial interactions
Authors: Ying Yang | Tingting Jiang | Jiayi Liu | Dalin Tang | Hongyang Tian | Jianguo Miao | Congying Deng
Source: Modelling—International Open Access Journal of Modelling in Engineering Science (article, 2025-10-30)
Field: Materials Science — Biomaterials

A Hybrid Modeling Approach for Performance Prediction of Fouled Spiral Fin-Tube Heat Exchanger Spiral finned tube heat exchangers are extensively used in petrochemical, power electronics, and metallurgical industries due to their high efficiency and compact design. However, fouling accumulation during operation significantly reduces heat transfer efficiency and increases pressure loss. This study develops a hybrid approach integrating discrete element method (DEM), finite element analysis (FEA), and HTRI Xchanger Suite 7 software to correlate fouling thickness with thermal performance and establish a prediction model for tube-side outlet temperature under varying conditions. DEM simulations analyze dust deposition patterns and determine equivalent fouling thickness distribution. A fouling-integrated FE model then evaluates how fouling thickness affects both heat transfer and flow resistance coefficients. Through orthogonal experimental design considering fouling thickness, ambient temperature, and inlet air velocity, thermal resistance values calculated from FEA are imported into HTRI to predict outlet temperature. A random forest algorithm is subsequently employed to develop a multivariable prediction model. Validation conducted on a spiral finned tube heat exchanger at Chongqing Xiangguosi Underground Gas Storage Co., Ltd. (Chongqing, China) confirmed close agreement between simulated and actual fouling patterns. The maximum relative error of the predicted outlet temperatures on the testing dataset was 0.1869%, demonstrating the proposed method’s potential to support performance evaluation and operational optimization of fouled heat exchangers. Fouling ; Heat exchanger ; Heat transfer ; Performance prediction ; Finite element method ; Plate heat exchanger ; Tube (container) ; Thermal ; Thermal resistance Calcium Carbonate Crystallization and Inhibition ; Heat Transfer and Optimization ; Geothermal Energy Systems and Applications
Authors: Zian Han | Xi Wang | Chengwei Liu | Hui Wu | Li Chen | Xiang Ding | Xiaoping Gao | Peng Xu | Peijian Du | Junbo Xie | Yifan Zhang | Wei Jiao | Huizheng Che
Source: Applied Thermal Engineering (article, 2025-06-03)
Field: Materials Science — Materials Chemistry

Multiscale analysis on anisotropic heat conduction behaviors of multi-walled carbon nanotubes modification carbon fiber composites: random distribution and modified interface Materials science ; Composite material ; Carbon nanotube ; Anisotropy ; Thermal conduction ; Carbon fibers ; Fiber ; Composite number Thermal properties of materials ; Composite Material Mechanics ; Carbon Nanotubes in Composites