jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Siti Mazlifah Ismail | Siti Nadia Abdullah | Noor Alia Md Zain | Siti Juwairiyah A. Rahman | Mohd Jumain Jalil | Intan Suhada Azmi
Source: Kemija u industriji (article, 2025-01-01)
Field: Materials Science — Polymers and Plastics

Održiva epoksidacija nezasićenih masnih kiselina perkiselinskim mehanizmom s amberlitnom smolom kao katalizatorom The growing global transition from non-renewable to renewable raw materials has spurred significant interest in sustainable alternatives. Nevertheless, the utilisation of amberlite resin for catalysing the production of epoxidised palm oil remains underexplored. This study investigates the effects of varying the molar ratio of formic acid to palm oil (0.5 : 1, 1 : 1, and 2 : 1) and different stirring speeds (150 rpm, 250 rpm, and 350 rpm) on the resulting oxirane value. Findings indicate that a molar ratio of 1 : 1 between formic acid and palm oil results in a 62 % oxirane value within 30 min, surpassing the outcomes of other tested ratios. A stirring speed of 350 rpm produced the highest oxirane value, at 68 %, compared to stirring speeds of 250 rpm and 150 rpm. The experiment successfully optimised the 1 : 1 molar ratio of formic acid to palm oil and a stirring speed of 350 rpm to increase epoxidation of palm oil. The Runge-Kutta Fourth Order method, in conjunction with genetic algorithm optimisation for numerical integration, was used to establish a mathematical model. Formic acid ; Molar ratio ; Palm oil ; Raw material ; Materials science ; Nuclear chemistry ; Pulp and paper industry ; Chemistry ; Mathematics ; Organic chemistry ; Food science ; Engineering ; Catalysis Polymer composites and self-healing ; Biodiesel Production and Applications ; Lignin and Wood Chemistry
Authors: Q. Xi | Siqi Huang | Changsheng Jiang | Dong Wang | Xiangdong Liu | Nuan Wen | Xuetao Cao | Yuguang Lv
Source: Inorganics (article, 2025-08-24)
Field: Materials Science — Materials Chemistry

Design, Deposition, Performance Evaluation, and Modulation Analysis of Nanocoatings for Cutting Tools: A Review With the rapid development of advanced machining technologies such as high-speed cutting, dry cutting, and ultra-precision cutting, as well as the widespread application of various difficult-to-machine materials, the surface degradation problems such as wear, oxidation, and delamination faced by tools in the service process have become increasingly prominent, seriously restricting the performance and service life of tools. Nanocoatings, with their distinct nano-effects, provide superior hardness, thermal stability, and tribological properties, making them an effective solution for cutting tools in increasingly demanding working environments. For example, the hardness of the CrAlN/TiSiN nano-multilayer coating can reach 41.59 GPa, which is much higher than that of a single CrAlN coating (34.5–35.8 GPa). This paper summarizes the most common nanocoating material design, coating deposition technologies, performance evaluation indicators, and characterization methods currently used in cutting tools. It also discusses how to improve nanocoating performance using modulation analysis of element content, coating composition, geometric structure, and coating thickness. Finally, this paper considers the future development of nanocoatings for cutting tools in light of recent research hotspots. Deposition (geology) ; Materials science ; Modulation (music) ; Nanotechnology ; Systems engineering ; Engineering ; Geology ; Physics ; Acoustics Diamond and Carbon-based Materials Research ; Metal and Thin Film Mechanics ; Advanced Surface Polishing Techniques
Authors: Björn Altenburger | Joachim Fritzsche | Christoph Langhammer
Source: ArXiv.org (preprint, 2025-01-23)
Field: Materials Science — Materials Chemistry

Femtoliter Batch Reactors for Nanofluidic Scattering Spectroscopy Analysis of Catalytic Reactions on Single Nanoparticles Macroscopic batch reactors are a core concept in chemical synthesis and catalysis due to their ability to ensure high conversion rates of the used reactants. At the nanoscale, such reactors hold promise due to their potential to enable chemistry in confinement under well-controlled mass transport conditions, and as enablers for the characterization of catalytic reactions on tiny active surface areas, such as single nanoparticles. However, their practical implementation and the readout of reaction products if used for the study of catalytic reactions is challenging due to their tiny volume and the requirement of being able to transiently open and close such nanoscopic batch reactors. Here, we introduce a liquid phase nanofluidic batch reactor concept with a volume of 4.8 femtoliters that conveniently can be opened and closed using a bypassing N2 gas stream, and that in combination with nanofluidic scattering spectroscopy readout enables the characterization of a catalytic reaction on a single nanoparticle inside the reactor, as we demonstrate on the catalytic reduction of fluorescein by sodium borohydride on a Au catalyst. Nanotechnology ; Nanoparticle ; Catalysis ; Spectroscopy ; Materials science ; Scattering ; Chemical engineering ; Chemistry ; Physics ; Organic chemistry ; Optics ; Engineering Machine Learning in Materials Science ; Catalysis and Hydrodesulfurization Studies ; Water Quality Monitoring and Analysis
Authors: SASWATI PANIGRAHY | KALPANA SWAIN | SATYANARAYAN PATTNAIK
Source: Journal of the Chilean Chemical Society (article, 2025-09-01)
Field: Chemistry — Analytical Chemistry

PRECISION AND PROGRESS: ADVANCES IN ANALYTICAL CHEMISTRY FOR BIOANALYSIS Analytical chemistry is pivotal in the progression of bioanalysis, facilitating precise quantification and characterization of biomolecules within intricate biological environments.This chapter offers an outline of the basic principles of analytical chemistry employed in bioanalytical techniques.It covers key topics including sample preparation techniques, separation methods such as chromatography and electrophoresis, detection techniques including mass spectrometry and spectroscopy, and data analysis strategies.In addition, advancements in instrumentation, miniaturization, and automation are discussed, highlighting their impact on improving the sensitivity, selectivity, and throughput of bioanalytical workflows.Overall, this review emphasizes the pivotal role of analytical chemistry in driving innovations and advancements in bioanalysis. Bioanalysis ; Analytical Chemistry (journal) ; Analytical technique Analytical chemistry methods development ; thermodynamics and calorimetric analyses ; Spectroscopy and Chemometric Analyses
Authors: Du Xiang | Han Wang | Quan Chen | Wenyu Songlu | Gan Yang | Zhenyu Ren | Xin Zhou | Yukang Chen | Shuti Li | Bo Peng | Zuxin Chen | Tao Liu
Source: Research Square (preprint, 2025-07-31)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Tailoring chirality in van der Waals crystals for circular polarization encoded pattern recognition Chirality (physics) ; van der Waals force ; Polarization (electrochemistry) ; Materials science ; Physics ; Molecular physics ; Chemistry ; Quantum mechanics ; Molecule ; Chiral symmetry ; Physical chemistry Metamaterials and Metasurfaces Applications ; 2D Materials and Applications ; Perovskite Materials and Applications
Authors: Shinsuke Ishihara | Avijit Ghosh | Tatsuya Mori | Mandeep K. Chahal | Daniel T. Payne | Akinori Saeki | Tsuyoshi Hyakutake | Takashi Nakanishi
Source: ChemRxiv (preprint, 2025-06-27)
Field: Chemistry — Spectroscopy

Optical gas sensing based on alkyl-π functional molecular liquids Luminescent organic molecules (LOMs) are commonly utilized in chemical sensing and optoelectronic devices with a solid support or matrix. Nevertheless, their performance is frequently limited by adverse phenomena such as undesirable aggregation, concentration quenching, and photodegradation of LOMs. In this study, we employ a strategy to isolate and wrap a phosphorescent Pt(II)-porphyrin core by bulky yet flexible branched alkyl chains, resulting in a solvent-free liquid at room temperature that demonstrates excellent properties for sensing oxygen (O2) gas. Compared to reference material composed of Pt(II)-tetraphenylporphyrin and a highly gas-permeable polymer matrix, our Pt(II)-porphyrin liquid shows comparable sensitivity (I0/I100 = ~90), better linearity, and greater photostability in its O2-responsive phosphorescence. This is attributed to the high homogeneity and gas solubility of liquids as well as the shielding of π-core units by bulky alkyl chains. The liquid nature of the materials allows for ratiometric sensing, where the compatibility of a phosphorescent Pt(II)-porphyrin liquid (O2-sensitive) and a fluorescent pyrene liquid (O2-insensitive) enables reproducible monitoring of O2 concentration without specific calibration. Indeed, these results highlight the significant benefits of core-isolated luminescent liquids in diverse sensing applications. Alkyl ; Materials science ; Nanotechnology ; Chemistry ; Organic chemistry Spectroscopy and Laser Applications ; Gas Sensing Nanomaterials and Sensors ; Analytical Chemistry and Sensors
Authors: Wei Huang | Gessica M. Adornato | Maggie Horst | Turki M. Alturaifi | Kai-Peng Hou | Peng Liu | William F. DeGrado | Yang Yang
Source: bioRxiv (Cold Spring Harbor Laboratory) (preprint, 2025-09-29)
Field: Materials Science — Materials Chemistry

<i>De Novo</i> Design, Directed Evolution and Computational Study of Heme-Binding Helical Bundle Protein Catalysts for Biocatalytic Enantioselective Ge–H Insertion <i>De novo</i> designed proteins offer a malleable platform for the development of stereoselective transformations not found in biochemistry. Here, we report the <i>de novo</i> design and directed evolution of helical bundle protein catalysts for enantioselective germylation through Ge-H insertion, a transformation not previously achieved by enzymatic catalysis. Comparative computational analysis revealed that, relative to Si-H insertion, the Ge-H insertion reaction proceeds through an earlier and more flexible transition state, introducing distinct challenges for stereocontrol. Using a fully <i>de novo</i> designed truncated four-helix bundle scaffold as the starting point, directed evolution afforded a quadruple mutant that catalyzes Ge-H insertion with high efficiency, enantioselectivity, and broad substrate scope. Molecular dynamics simulations indicated that beneficial mutations introduced from directed evolution enhanced active-site preorganization and modulated local backbone flexibility, contributing to improved transition-state complementarity with fine-tuned binding pocket size and more stable cofactor positioning regulated by hydrogen bonding interactions. These findings showcase the excellent potential for <i>de novo</i> proteins to achieve stereoselective transformations previously unknown to biocatalysts and underscore the importance of active-site remodeling of <i>de novo</i> protein scaffolds via directed evolution in achieving selective catalysis involving flexible transition states. Directed evolution ; Enantioselective synthesis ; Protein design ; Catalysis ; Protein engineering ; Directed Molecular Evolution ; Stereoselectivity ; Protein structure ; Hydrogen bond Mesoporous Materials and Catalysis ; Chemical Synthesis and Analysis ; Enzyme Catalysis and Immobilization
Authors: D. Rajagopal | Arnd Koeppe | Adrian Cierpka | Britta Nestler
Source: Batteries & Supercaps (article, 2025-08-16)
Field: Materials Science — Materials Chemistry

Latent Diffusion Models for Virtual Battery Material Screening and Characterization Efficient characterization of battery materials is fundamental to understanding the underlying electrochemical mechanisms and ensuring the safe operation of batteries. In this work, an innovative data‐driven multimodal generative method is proposed to accelerate the characterization and screening of battery materials. This approach leverages a variant of the latent diffusion model, which combines a variational autoencoder (VAE) and a denoising U‐Net. The VAE maps microscale information from characterization techniques, such as atomic force microscopy (AFM), into a common latent space, and the denoising U‐net, conditioned on battery properties, guides the screening of battery materials. Together, the data‐driven properties of material space, enriched with battery functional properties and formulated in a common latent space, achieve the accurate translation of information from AFM to meaningful material descriptors and accelerate the screening of battery materials to meet the functional needs of the battery system under consideration. Battery (electricity) ; Characterization (materials science) ; Diffusion ; Computer science ; Materials science ; Nanotechnology ; Physics ; Thermodynamics Machine Learning in Materials Science ; X-ray Diffraction in Crystallography ; Advanced Battery Technologies Research
Authors: Tao He | Haoran Liu | Zihe Jiang | Zhiwei Hu | B. Zhang | Xiaohui Dong | Chaowei Sun | Wei Jiang | Jiawei Sun | Yang Li | Huatian Hu | Wen Chen | Hongxing Xu
Source: Laser & Photonics Review (article, 2025-10-28)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Quantitative Benchmarking of Remote Excitation in Plasmonic Sensing with Enhanced Signal‐to‐Noise Ratio ABSTRACT Remote excitation using guided optical modes–such as waveguides, fibers, or surface waves–offers a promising alternative to direct optical excitation for surface‐enhanced Raman scattering (SERS), particularly in applications requiring reduced heating, minimal invasiveness, and on‐chip integration. However, despite its widespread use, systematic comparisons between remote and direct excitation remain limited. Here, we quantitatively benchmark both schemes by measuring power‐dependent SERS responses from individual plasmonic nanogaps. We statistically analyze the maximum achievable SERS intensity before structural degradation, extract local temperatures, and evaluate signal‐to‐noise ratios (SNR). Our findings reveal that both remote and direct SERS share a common electric‐field limit, despite exhibiting different levels of heating. This suggests that spectral evolution is primarily governed by the local electric field, which drives nanoscale atomic migration rather than excessive heating. Nonetheless, the lower heating associated with remote excitation enhances the Raman SNR by approximately 30%, improving measurement quality without compromising signal strength. This study establishes a quantitative framework for evaluating excitation strategies in plasmonic sensing, and challenges common assumptions about the role of heating in nanostructural stability under strong optical excitation. Excitation ; Plasmon ; Raman scattering ; Benchmarking ; Raman spectroscopy ; Nanoscopic scale ; Stability (learning theory) Gold and Silver Nanoparticles Synthesis and Applications ; Plasmonic and Surface Plasmon Research ; Mechanical and Optical Resonators
Authors: Antony D Miller
Source: International Journal of Physics and Mathematics (article, 2025-07-01)
Field: Materials Science — Materials Chemistry

The green Fibonacci sequence: Natural occurrences, modern innovations, and today’s mathematical applications for clean industrial practices The Fibonacci sequence, a mathematical pattern rooted in nature’s growth dynamics, has transcended theoretical confines to become a cornerstone of sustainable industrial innovation. This study explores its pervasive presence in natural system, from phyllotaxis in plants to spiral galaxies, and its subsequent adaptation into modern engineering and manufacturing processes. By harnessing Fibonacci-derived structures, industries achieve material efficiency, energy optimization, and waste reduction, aligning with circular economy principles. Civil engineers utilize Fibonacci spirals for load-bearing designs that minimize steel usage, while data scientists employ sequence-based algorithms to model resource distribution networks. In product design, biomimetic Fibonacci patterns reduce material waste without compromising structural integrity. The sequence’s role in bridging natural efficiency with industrial applications is exemplified in photovoltaic array configurations, where Fibonacci spacing enhances light absorption. This paper demonstrates how nature-inspired mathematics fosters cleaner production paradigms, offering scalable solutions for global sustainability challenges. Fibonacci number ; Sustainability ; Cornerstone ; Industrial ecology ; Phyllotaxis ; Circular economy ; Sustainable development ; Coproduct ; Material efficiency Quasicrystal Structures and Properties ; Advanced Materials and Mechanics ; Architecture and Computational Design
Authors: Marjan Monshi | Maziar Moussavi | Nadzeya Khinevich | Tomas Tamulevičius | Asta Tamulevičienė | Joel Henzie | Mindaugas Juodėnas | Sigitas Tamulevičius
Source: The Journal of Physical Chemistry C (article, 2025-08-13)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Graphene-Enhanced Resonant Arrays of Silver Nanoparticles for Sustained Detection of Raman Signature Surface-enhanced Raman Scattering spectroscopy has transformed trace analyte detection by harnessing localized surface plasmon resonance. Hybrid plasmonic–photonic modes have been shown to further improve enhancement factors by tailoring the resonant wavelength. Here, we use a surface lattice resonance-based platform tuned to amplify the Stokes-shifted Raman emission band produced by using capillarity-assisted Ag nanoparticle assembly. Additionally, we transferred graphene onto these substrates to evaluate its effect on the long-term retention of the analyte signal. We monitored the Raman signature of 2-naphthalenethiol on substrates with and without transferred graphene sheets over 1 year since initial exposure. Signal intensities from both the unprotected (U) and graphene-protected (G) samples were projected onto the principal components to evaluate the spectral traits and monitor how the spectra change over time. The results showed that both U and G samples initially exhibited a detection score of approximately 80%. While the U sample completely lost its Raman signal after 300 days, the G sample retained a detection score of about 30%, which remained stable even after 344 days. We attribute the retained signal on the G substrate to two phenomena: (i) graphene prevents the degradation of plasmonic particles and (ii) helps retain the analyte on the substrate. Moreover, the ratio of Raman peaks coinciding with the lattice resonance vs off-resonance peaks was higher compared to a reference measurement. This underscores the potential of graphene–silver hybrid platforms for applications requiring sustained analyte signature, where a long shelf life and prolonged detection over time could facilitate repeated measurements or continuous monitoring without the need for frequent sample replacement on site. Graphene ; Raman spectroscopy ; Signature (topology) ; Nanotechnology ; Materials science ; Silver nanoparticle ; Nanoparticle ; Optoelectronics ; Physics ; Optics Gold and Silver Nanoparticles Synthesis and Applications ; Advanced biosensing and bioanalysis techniques ; Spectroscopy Techniques in Biomedical and Chemical Research
Authors: Imhade P. Okokpujie | Lagouge K. Tartibu | Rajneesh Kumar Singh
Source: Journal of Advanced Research in Micro and Nano Engieering (article, 2025-03-30)
Field: Materials Science — General Materials Science

Development of an Aluminium-based Composite Reinforced with Various Concentrations of 600 Microns of Alumina Particulates for Engineering Applications A popular and cost-effective method for creating and processing metal matrix composite materials is the stir casting process, which produces casting alloy-based composite components made of aluminium. This study entails the development of an aluminium matrix composite reinforced with alumina particles, with the Matrix being the Al6061 alloy and the reinforcement Al2O3 particles, with a particle size of 600 microns. The originality of this study is on the formation of the mixing ratio of the 600 microns in the composite development. The fabrication method was the stir casting technique to enable a homogeneous mixture for excellent mechanical properties of the varying composites with different reinforcement compositions, ranging from 5% - 30% of the Al2O3 material. The study performed mechanical tests such as tensile, compressive, hardness, impact and microstructural analysis on the developed composites. At the end of the study, it was discovered that the properties of the Al 6061 alloy, when reinforced with the alumina particles, improved when various tests were carried out. The tensile strength increased significantly after reinforcement, reaching a maximum value of 33.9 MPa compared to the initial value of 12.16 MPa. For the Impact test, the specimen with the most negligible impact was the aluminium composite with 0% reinforcement and 100% Al6061 alloy with an impact value of 25.75 J/mm2 and the maximum value of impact being with the composition of 30% reinforcement of Al2O3 and 70% of Al6061 with 43.67 J/mm2 amount of impact. The composite value with the maximum hardness, i.e. 30% of Al2O3 and 70% of Al6061, has a hardness value of 34.66. The study also investigated the relationships between mechanical properties and the compositions of the reinforcements, revealing valuable insights into their interplay of the load, composition percentage, and time. Aluminium ; Particulates ; Composite number ; Materials science ; Composite material ; Metallurgy ; Chemistry Material Properties and Applications ; Aluminum Alloys Composites Properties ; Advanced ceramic materials synthesis