jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Jeong-Geun Yun | Hyunjung Kang | Kyookeun Lee | Youngmo Jeong | Eunji Lee | Joohoon Kim | Minseok Choi | Bonkon Koo | Doyoun Kim | JongChul Choi | Junsuk Rho
Source: Nature Communications (article, 2025-08-07)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Compact eye camera with two-third wavelength phase-delay metalens The essential role of mobile devices in modern life has driven increasing demand for compact, lightweight, and high-performance imaging systems. Recently, metalenses, which manipulate electromagnetic waves through sub-wavelength nanostructures on flat surfaces, have emerged as promising alternatives to traditional refractive lenses. However, their commercial adoption remains limited due to manufacturing challenges in defining high-aspect-ratio nanostructures, which drive up costs and reduce production yields. To address these issues, we propose an infrared metalens with a wide field of view, designed to reduce the aspect ratio of the nanostructures. Even with a limited phase modulation depth of 4π/3 which is two-thirds that of the conventional designs, we demonstrate that the height of the structures can be reduced without compromising performance. As proof of concept, we present a prototype of a compact eye imaging system based on this design method. The resulting metalens system achieves a 120-degree field of view and features an ultracompact form factor with a total track length of 1.758 mm. Such an imaging system, functioning as a compact eye camera module, enables precise extraction of eye features for gaze tracking and iris authentication, highlighting its potential for commercialization in extended reality devices. Computer science ; Phase (matter) ; Optics ; Wavelength ; Optoelectronics ; Materials science ; Physics Metamaterials and Metasurfaces Applications ; Optical Wireless Communication Technologies ; Advanced Optical Imaging Technologies
Authors: Camille Robichon | Pierre Villeneuve | Philippe Bohuon | Bruno Baréa | Nathalie Barouh | Francis Courtois | Frédéric Fine | Erwann Durand
Source: Current Research in Food Science (article, 2025-01-01)
Field: Chemistry — Organic Chemistry

Unveiling synergistic antioxidant combinations for α-tocopherol in emulsions: A spectrophotometric-mathematical approach This study presents a novel method based on a spectrophotometric assay coupled with mathematical modeling (Weibull interactions modeling CAT) to evaluate synergistic interactions of antioxidants in an oil-in-water model emulsion. The approach addresses a major limitation in current assays by eliminating interference from pro-/antioxidant pathways induced by exogenous radical initiators or buffers, allowing for a more accurate assessment of antioxidant efficacy. Using the Weibull equation, key kinetic parameters (LagP, α, β) were extracted to characterize the impact of antioxidant combinations on lipid oxidation. Results showed that certain combinations, such as α-tocopherol with carnosic acid, dieckol, and myricetin, exhibited concentration-dependent synergistic effects. Among these, carnosic acid in equimolar ratios demonstrated particularly promising interactions. In contrast, ascorbic acid revealed antagonistic behaviour when combined with α-tocopherol. Additionally, the presence of ferrous ions significantly influenced antioxidant interactions, highlighting their role in modulating underlying mechanisms. Overall, carnosic acid and dieckol emerged as strong candidates for use in combination with α-tocopherol under specific conditions. This method provides a refined approach for screening antioxidant synergies and contributes to the development of more effective antioxidant formulations in emulsified systems. Tocopherol ; Antioxidant ; Chemistry ; alpha-Tocopherol ; Chromatography ; Computer science ; Vitamin E ; Organic chemistry Free Radicals and Antioxidants ; Antioxidant Activity and Oxidative Stress ; Phytochemicals and Antioxidant Activities
Authors: T. Egami | Chae Woo Ryu
Source: Journal of Applied Physics (article, 2025-02-20)
Field: Materials Science — Materials Chemistry

Perspective: Are glasses really frozen? A glass is obtained by cooling a liquid fast enough to avoid crystallization. It is a solid with elastic constants and density similar to those of a crystal with the same composition. It is customarily assumed that the structure of a glass is frozen, and atoms are largely locked into a random, but specific, structure; while a small number of loosely bound atoms may be mobile, most atoms are frozen at room temperature and below. However, recent simulation studies on metallic glasses present a rather different picture. A very significant fraction (∼20%) of atoms are not frozen and locally mobile, even down to T = 0 partly because of quantum effect. Here, we describe these observations and discuss their implications on the nature of the glass structure and the origin of the glass transition. Perspective (graphical) ; Materials science ; Computer science ; Artificial intelligence Material Dynamics and Properties ; Metallic Glasses and Amorphous Alloys ; Theoretical and Computational Physics
Authors: Mukherjee Suvajit | Estelle Goulas | Isabelle de Waele | Anne Créach | Simon Hawkins | Sébastien Grec | Anne‐Sophie Blervacq
Source: Industrial Crops and Products (article, 2025-03-08)
Field: Chemistry — Analytical Chemistry

Tracking flax dew retting by infrared vibrational spectroscopy combined with a powerful multivariate statistical analysis Natural fibers are of great interest for the industrial sector, particularly those from flax ( Linum usitatissimum L.). Before the industrial process, flax stems have to undergo ‘dew retting’. Under-retting and over-retting can result in fibers with lower industrial value and this process is currently empirical. In this study, we aimed to accurately monitor the flax dew retting by determining FT-IR spectra of uprooted stems after 1-, 6-, 20- and 25 days. As FTIR was usually performed after retting, it is original. With both one-way anova (‘ a priori ’ approach’) and a multivariate analysis (‘without a priori ’ approach), we pinpoint significant markers of the retting progression. But the ‘without a priori ’ approach reveals more significant markers. The early retting step was suported by peaks corresponding to esterified and alkyl-esterified pectins (1734 cm −1 ), other pectin (1335 cm −1 ) and aromatics (1508 cm −1 ). Degradation of the epidermis and the middle lamella from cortical parenchyma are taking place early. This is a prerequisite for fungus hyphae or bacteria colonization. The final retting step showed significant contributions from cellulose/hemicellulose peak (1317; 1427 cm −1 ), crystalline cellulose (1371 cm −1 ) and, OH- (3270 cm −1 ). This suggests almost complete outer tissue disorganization as well as the beginning of the release of bast fibers from bundles. Identifying specific peaks related to the end of the retting will help to build a predictive model. This will constitute a valuable tool to parameter a handheld device for helping farmers to determine the optimal retting point to harvest flax stems ensuring maximum fiber quality. • FT-IR spectroscopy is suitable for monitoring the evolution of retting. • The " a priori " approach produces few significant peaks for handheld devices. • A "without a priori " approach identifies more markers via multivariate analysis. • Reliable markers help identify the optimal start and end of retting. • The degradation of flax outer tissues and cell wall polymers is documented. Retting ; Dew ; Infrared spectroscopy ; Multivariate analysis ; Infrared ; Multivariate statistics ; Spectroscopy ; Statistical analysis ; Environmental science ; Chemistry ; Analytical Chemistry (journal) ; Mathematics ; Statistics ; Botany ; Chromatography ; Biology ; Physics ; Organic chemistry ; Meteorology ; Optics Spectroscopy and Chemometric Analyses ; Food composition and properties ; Phytoestrogen effects and research
Authors: Xixi Hou | Longfei Mao | Huibin Zhang | Lan Wang | Baoyu He | Jingjing Guo | Jianji Wang
Source: Frontiers in Pharmacology (article, 2025-01-20)
Field: Chemistry — Organic Chemistry

Design, synthesis, and anti-inflammatory activity of 2H-1,4-benzoxazin-3(4H)-one derivatives modified with 1,2,3-triazole in LPS-induced BV-2 cells Given the potent anti-inflammatory properties of the 1,2,3-triazole structure and the wide use of 2H-1,4-benzoxazin-3(4H)-one in developing treatments for neurodegenerative diseases, a series of 2H-1,4-benzoxazin-3(4H)-one derivatives were synthesized by introducing a 1,2,3-triazole moiety. Screening for anti-inflammatory activity in microglial cells revealed that compounds e2, e16, and e20 exhibited the most promising effects without significant cytotoxicity. These compounds effectively reduced LPS-induced NO production and significantly decreased the transcription levels of pro-inflammatory cytokines IL-1β, IL-6, and TNF-α. Furthermore, they downregulated the transcription and protein levels of the inflammation-related enzymes iNOS and COX-2 in response to LPS stimulation. To further investigate the anti-inflammatory mechanisms of these derivatives in microglia, the intracellular ROS levels and the activation of the Nrf2-HO-1 signaling pathway were analyzed. The results indicated that the 2H-1,4-benzoxazin-3(4H)-one derivatives significantly activated the Nrf2-HO-1 pathway, reduced LPS-induced ROS production, and alleviated microglial inflammation. Molecular docking studies suggested that compounds e2, e16, and e20 could interact with Nrf2-related binding sites, preventing its degradation by Keap1. Additionally, acute toxicity tests in mice demonstrated that compound e16 exhibited favorable safety. Chemistry ; Inflammation ; Pharmacology ; Anti-inflammatory ; Microglia ; Cytotoxicity ; Docking (animal) ; Stimulation ; Enzyme ; Transcription factor ; Biochemistry ; Immunology ; In vitro ; Biology ; Medicine ; Gene ; Internal medicine Quinazolinone synthesis and applications ; Phenothiazines and Benzothiazines Synthesis and Activities ; Synthesis and Biological Evaluation
Authors: Behnam Amiri-Ramsheh | Sara Sahebalzamani | Reza Zabihi | Abdolhossein Hemmati‐Sarapardeh
Source: Scientific Reports (article, 2025-07-19)
Field: Chemistry — Analytical Chemistry

Predicting asphaltene precipitation during natural depletion of oil reservoirs by integrating SARA fractions with advanced intelligent models Asphaltene precipitation during natural depletion can lead to substantial issues in oil transport and production systems, requiring close assessment of crude oil stability through thermodynamic and structural factors. This precipitation can alter wettability, reduce permeability, and block flow, causing increased pressure drops in wells, upstream facilities, and pipelines. Determining asphaltene precipitation experimentally is time-consuming and costly. Thus, it is essential to find fast and precise techniques for determining asphaltene precipitation. This research aims to accurately predict asphaltene precipitation values using an extensive databank containing 380 experimental data points. Pressure, bubble point pressure, temperature, oil °API gravity, and saturated-aromatic-resin-asphaltene (SARA) fractions of the crude oil samples were treated as input variables, while asphaltene precipitation was the output of the models. Four smart models, namely, extreme gradient boosting (XGBoost), light gradient boosting machine (LightGBM), cascade forward neural network (CFNN), and generalized regression neural network (GRNN) were constructed. To train the CFNN, the Levenberg-Marquardt (LM) algorithm was implemented. Various statistical and visual assessments were conducted to validate the reliability and precision of constructed models. Findings revealed that the developed LightGBM technique could outperform other models in estimating output values with the lowest absolute error value of 8.57% and the highest correlation coefficient (R<sup>2</sup>) of 0.9904. Besides, all developed models in this study could forecast asphaltene precipitation values with an absolute error of less than 10%. Also, trend assessment indicated that predicted output values by the LightGBM paradigm have a satisfactory agreement with actual asphaltene precipitation values. Sensitivity evaluation indicated that pressure and the amount of asphaltene exert the most significant negative and positive effects on the output, respectively. Lately, outlier discovery utilizing the Leverage technique illustrated that almost 96% of the used data points seem to be valid and reliable, statistically. Asphaltene ; Precipitation ; Petroleum engineering ; Natural (archaeology) ; Environmental science ; Computer science ; Chemical engineering ; Geology ; Engineering ; Meteorology ; Geography Petroleum Processing and Analysis ; Hydrocarbon exploration and reservoir analysis ; Enhanced Oil Recovery Techniques
Authors: Mahesh Kumar | Sheng‐Chi Chen | Adhimoorthy Saravanan | Bohr‐Ran Huang | Hui Sun
Source: Small (article, 2025-02-09)
Field: Materials Science — Materials Chemistry

Tunable Bi‐directional Broadband Self‐Powered Photoresponse in a 0D C <sub>60</sub> /2‐D SnS <sub>2</sub> Nanoflower Heterostructure Realizing bidirectional photodetection is essential for developing next-generation artificial neuromorphic systems, visual information processing, and future optoelectronic logic gates. Photodetectors are promising visible light communication systems due to their energy efficiency and cost-effectiveness. Color shift keying is frequently used in visible light communication to meet non-negative light intensity modulation demands. However, requiring a minimum of two photodetectors with filters to decode optical signals raises the device cost and complicates the communication system. Here, novel bidirectional photo response of 0-D C<sub>60</sub>/2-D SnS<sub>2</sub> nanoflower heterostructure for self-powered broadband photodetector synthesis using sol-gel methods is presented. The photodetector exhibits significantly enhanced currents, with increases of ≈17000% (365 nm), 8750% (456 nm), 3333% (532 nm), 17647% (632 nm), and 124500% (850 nm) under zero bias, compared to C<sub>60</sub>. Furthermore, by adjusting the wavelength of the incident light, controllable bidirectional photoresponse (negative for wavelength = 365 nm and positive for 456-850 nm wavelengths) is achieved through the C<sub>60</sub>/SnS<sub>2</sub>, owing to the synergistic interplay between the photothermoelectric effect of C<sub>60</sub> and the photovoltaic effect of SnS<sub>2</sub>. Polarity switching bestows multifunctional attributes upon photoelectric devices, potentially providing innovative approaches to overcome conventional challenges and fulfill the demands of emergent technological paradigms. Nanoflower ; Heterojunction ; Broadband ; Materials science ; Optoelectronics ; Nanotechnology ; Telecommunications ; Nanostructure ; Computer science 2D Materials and Applications ; Perovskite Materials and Applications ; Quantum Dots Synthesis And Properties
Authors: Z. L. Smith | H. J. Dickinson | H. J. Fraser | M. K. McClure | Jennifer A. Noble | A. C. A. Boogert | Fengwu Sun | E. Egami | E. Dartois | Jessica Erkal | Takashi Shimonishi | T. L. Beck | Jennifer B. Bergner | P. Caselli | Steven B. Charnley | E. Schunová | M. N. Drozdovskaya | R. T. Garrod | D. Harsono | S. Ioppolo | Izaskun Jiménez-Serra | J. K. Jørgensen | Gary J. Melnick | Karin I. Öberg | M. E. Palumbo | Y. J. Pendleton | Giulia Perotti | K. M. Pontoppidan | D. Qasim | W. R. M. Rocha | J. A. Sturm | A. Taillard | Riccardo Giovanni Urso | E. F. van Dishoeck
Source: Nature Astronomy (article, 2025-03-24)
Field: Chemistry — Spectroscopy

Cospatial ice mapping of H2O with CO2 and CO across a molecular cloud with JWST/NIRCam Abstract In the coldest regions of molecular clouds, carbon and oxygen are incorporated into icy dust grains. Despite its outsized role in star and planet formation, sequential formation of ice is poorly constrained. Infrared spectroscopy probes ice chemistry, but previous telescopes observed insufficient lines of sight to map a single cloud. Here we present cospatial maps of H 2 O, CO 2 and CO ice over the central region of the Chamaeleon I molecular cloud, using 44 lines of sight observed with the James Webb Space Telescope. Correlations at column densities ten times larger than previous work suggest additional CO 2 ice formation in CO ice for the densest lines of sight. This large statistical sampling within a single cloud represents a step change in ice mapping, eliminating averaging over clouds with different intrinsic chemical environments. Mapping opens the door to probing gas–grain exchanges, snow lines and chemical evolution in the densest regions and drawing conclusions on the impact of ice chemistry on wider astrophysics. Cloud computing ; Environmental science ; Remote sensing ; Astrobiology ; Physics ; Computer science ; Geology Spectroscopy and Laser Applications ; Atmospheric Ozone and Climate ; Astrophysics and Star Formation Studies
Authors: Yu Wang | Zhou Yang | Haoran Mu | Yujin Chen | Miaomiao Yang | Zhenhe Zhao | Ke Zhang | Congwen Zhang | Xue Xia | Weiqiang Chen | Shenghuang Lin
Source: Advanced Optical Materials (article, 2025-04-18)
Field: Materials Science — Materials Chemistry

Reconfigurable Ge<sub>2</sub>Sb<sub>2</sub>Te<sub>5</sub>/MoS<sub>2</sub> Heterojunction Photodetector with High‐Contrast Responsivity for Retinomorphic Vision Sensing Abstract Reconfigurable photodetectors are crucial for applications such as adaptive sensing and dynamic imaging. However, conventional devices based on materials such as silicon typically require external electric fields and additional memory units, resulting in increased system complexity and energy consumption. Here, a self‐driven, reconfigurable, and controllable photoresponse with a large responsivity contrast of up to 100 is achieved using a Ge 2 Sb 2 Te 5 (GST)/MoS 2 heterojunction, leveraging the integration of the reversible phase‐transition capability of phase‐change materials (PCMs) with the nonvolatile reconfigurable optoelectronic merits of two‐dimensional (2D) materials. The reconfigurable GST/MoS 2 heterojunction photodetector also demonstrates fast response times, excellent cycling stability, and a linear photocurrent–power relationship, supporting its use in real‐time imaging systems. Furthermore, a 3 × 3 reconfigurable photodetector array is implemented as an optical convolution kernel for in‐sensor image processing, achieving high‐quality image recognition, contrast enhancement, and edge detection. This work positions phase‐change‐2D heterojunctions as a promising platform for next‐generation reconfigurable photodetection and intelligent sensing technologies. Photodetector ; Materials science ; Responsivity ; Heterojunction ; Optoelectronics ; Germanium ; Contrast (vision) ; Antimony ; Optics ; Silicon ; Physics Phase-change materials and chalcogenides ; Advanced Memory and Neural Computing ; Transition Metal Oxide Nanomaterials
Authors: Stefan Kolašinac | Marko Mladenović | Ilinka Pećinar | Ivan Šoštarić | Viktor Nedović | Vladimir Miladinović | Z. D. Stevanović
Source: Plants (article, 2025-04-25)
Field: Chemistry — Analytical Chemistry

Raman and FT-IR Spectroscopy Coupled with Machine Learning for the Discrimination of Different Vegetable Crop Seed Varieties The aim of this research is to investigate the potential of Raman and FT-IR spectroscopy as well as mathematical linear and non-linear models as a tool for the discrimination of different seed varieties of paprika, tomato, and lettuce species. After visual inspection of spectra, pre-processing was applied in the following combinations: (1) smoothing + linear baseline correction + unit vector normalization; (2) smoothing + linear baseline correction + unit vector normalization + full multiplicative scatter correction; (3) smoothing + baseline correction + unit vector normalization + second-order derivative. Pre-processing was followed by Principal Component Analysis (PCA), and several classification methods were applied after that: the Support Vector Machines (SVM) algorithm, Partial Least Square Discriminant Analysis (PLS-DA), and Principal Component Analysis-Quadratic Discriminant Analysis (PCA-QDA). SVM showed the best classification power in both Raman (100.00, 99.37, and 92.71% for lettuce, paprika, and tomato varieties, respectively) and FT-IR spectroscopy (99.37, 92.50, and 97.50% for lettuce, paprika, and tomato varieties, respectively). Moreover, our novel approach of merging Raman and FT-IR spectra significantly contributed to the accuracy of some models, giving results of 100.00, 100.00, and 95.00% for lettuce, tomato, and paprika varieties, respectively. Our results indicate that Raman and FT-IR spectroscopy coupled with machine learning could be a promising tool for the rapid and rational evaluation and management of genetic resources in ex situ and in situ seed collections. Principal component analysis ; Linear discriminant analysis ; Normalization (sociology) ; Raman spectroscopy ; Quadratic classifier ; Artificial intelligence ; Smoothing ; Support vector machine ; Mathematics ; Pattern recognition (psychology) ; Analytical Chemistry (journal) ; Statistics ; Computer science ; Chemistry ; Optics ; Physics ; Chromatography Spectroscopy and Chemometric Analyses ; Phytochemicals and Antioxidant Activities ; Spectroscopy Techniques in Biomedical and Chemical Research
Authors: Jingxing Si | Zhengchuang Liu | Fang Gu | Xiaoli Jin | Ying‐Yu Ma
Source: International Journal of Oncology (review, 2025-08-19)
Field: Materials Science — Biomaterials

Nanoparticle‑based delivery systems for targeted therapy in brain tumors: Progress, challenges and perspectives (Review) Brain tumors, particularly gliomas, are among the most lethal malignancies, with high mortality driven by a delayed diagnosis and limited therapeutic efficacy. A central challenge lies in the presence of the blood‑brain barrier (BBB), which severely impedes the delivery of systemically administered therapeutics to tumor sites. Addressing this clinical urgency, nanoparticle (NP)‑based delivery systems have emerged as a transformative strategy to enhance brain‑specific drug accumulation, minimize off‑target toxicity and improve treatment outcomes. The present review systematically examined the recent advances in nanocarrier technologies for targeted brain tumor therapy, including liposomes, solid lipid NPs, dendrimers, polymeric nanoplatforms and inorganic nanomaterials. The design principles, mechanisms for BBB traversal, therapeutic payload compatibility and tumor‑targeting capabilities of NP technologies demonstrated in preclinical models have also been highlighted. In addition to drug delivery, emerging applications of nanocarriers in gene therapy were explored and the impact of protein corona formation on NP behavior <i>in vivo</i> was discussed. Finally, current translational bottlenecks were identified and future design considerations to achieve clinically viable, precision‑targeted nanomedicines for brain tumors were outlined. Molecular medicine ; Biology ; Cancer therapy ; Oncogene ; Cancer ; Targeted therapy ; Cell cycle ; Nanotechnology ; Materials science Nanoparticle-Based Drug Delivery ; Nanoplatforms for cancer theranostics ; RNA Interference and Gene Delivery