jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Keaoleboga Mosupi | Christophe A. Ndamyabera | Mike Masukume | Nicholas M. Musyoka | Henrietta W. Langmi
Source: Journal of Inorganic and Organometallic Polymers and Materials (article, 2026-03-24)
Field: Chemistry — Inorganic Chemistry

Facile Synthesis of Iron-Based MIL-101 Metal-Organic Framework as a Potential Hydrogen Storage Material Abstract Conventional approaches for metal-organic framework synthesis have shortcomings that may be circumvented through unconventional approaches, which offer fast reactions and scale-up opportunities. This work reports the successful preparation of iron-based MIL-101 utilizing unconventional precursors: iron extracted from acid mine water and terephthalic acid derived from waste polyethylene terephthalate. Three methods were employed including conventional solvothermal, unconventional microwave-assisted and unconventional sonochemical-assisted synthesis and the resulting Fe-MIL-101 was evaluated as an adsorbent for hydrogen. Unconventional synthesis drastically reduced synthesis duration from 20 h (solvothermal) to 4 h (sonochemical-assisted) and 2 h (microwave-assisted). The prepared materials displayed comparable surface areas, with the sample from microwave-assisted synthesis exhibiting a surface area of 512 m 2 g − 1 while that from sonochemical and conventional solvothermal methods exhibited surface areas of 702 and 717 m 2 g − 1 , respectively. Correspondingly, the highest hydrogen uptake (1.03 wt% at 1 bar, 77 K) was attained for the solvothermal Fe-MIL-101. The feasibility of synthesizing Fe-MIL-101 holistically from these specific waste sources using unconventional methods, with an advantage of shortened reaction times, has been proven in this study. Graphical Abstract A drive towards sustainable synthesis of metal-organic frameworks as potential gas storage materials. Hydrogen storage ; Solvothermal synthesis ; Adsorption ; Terephthalic acid ; Specific surface area ; Hydrogen ; Metal-organic framework Metal-Organic Frameworks: Synthesis and Applications ; Magnesium Oxide Properties and Applications ; Industrial Gas Emission Control
Authors: Dmitry Aronbaev | Sergey Aronbaev | Svetlana M. Vasina | Dilnoza Isakova | Gulnoza Abilkosimova | Charos Raimkulova
Source: Reviews in Analytical Chemistry (article, 2026-01-01)
Field: Chemistry — Electrochemistry

The application of screen-printed electrodes and bath – injection cells for real-time and in-site voltammetric analysis of heavy metals Abstract This study aims to develop and experimentally implement a novel portable electrochemical sensor based on screen-printed carbon electrodes (SPCEs) and an original bath-injection electrochemical cell for real-time environmental monitoring of pollutants. The scientific novelty of this work lies in the design of a simplified yet highly effective electrochemical cell that eliminates the need for a liquid carrier through an innovative self-washing mechanism using excess sample volume. This feature significantly reduces system complexity and enhances sensor reliability in field applications. The advantages of microfluidic technologies in the development of SPCE-based sensors are highlighted, and detailed protocols for modifying SPCEs with mercury, bismuth, and gold films are presented. Surface characterization is supported by micrographs, ensuring reproducibility of the electrode surface and analytical results. Voltammograms for various individual ions and their mixtures are provided, along with the corresponding electrode modifications and analytical conditions. The developed system demonstrates a broad linear concentration range and a detection limit as low as 5–10 μg/L. Field trials of the sensor were conducted using water samples from the Zeravshan river, a major source of drinking water in the region. Elevated concentrations of several toxic ions were detected, with the results confirmed by atomic absorption and inductively coupled plasma atomic emission spectroscopy. The proposed sensor system proves to be a promising solution for on-site pollutant detection under limited infrastructure conditions, supporting rapid response to both anthropogenic and natural environmental emergencies. Detection limit ; Electrode ; Electrochemistry ; Metal ions in aqueous solution ; Electrochemical gas sensor ; Electrochemical cell ; Reproducibility ; Analytical Chemistry (journal) ; Pollutant Electrochemical Analysis and Applications ; Water Quality Monitoring and Analysis ; Dye analysis and toxicity
Authors: Wenkun Fei | Xuejiao Wang | Chaoyang Miao | Jiahao Chen | Shujuan Liu | Bingxiang Li | Jianmin Li | Qiang Zhao
Source: Nano Research (article, 2026-01-01)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Fe <sup>2+</sup> -crosslinked MXene fibers for multifunctional electronic textile The increasing demand for multifunctional wearable electronics and intelligent electronic textile systems necessitates advanced functional fibers that integrate mechanical durability, superior conductivity, and adaptive functionalities. Here, a Fe<sup>2+</sup>-crosslinking strategy is employed to engineer structural-functional synergy in Ti<sub>3</sub>C<sub>2</sub>T<sub>x</sub> MXene fibers, through the coordination bridging effect between Fe<sup>2+</sup> ions and Ti<sub>3</sub>C<sub>2</sub>T<sub>x</sub> surface functional groups. This design enhances interlayer interfacial coupling within the nanosheet framework, yielding highly aligned Ti<sub>3</sub>C<sub>2</sub>T<sub>x</sub> fibers with outstanding mechanical strength (143.7 MPa) and electrical conductivity (2607 S cm<sup>-1</sup>), simultaneously. As a result, the fibers exhibit excellent Joule heating effect for wearable thermal management, reaching 122°C within 2 min at 2 V. For energy storage, the as-prepared fibers show remarkable pseudocapacitive charge storage capacity of 1239 F cm<sup>-3</sup>, enabling fiber-shaped supercapacitors with a high energy density of 14.12 mWh cm<sup>-3</sup> and peak power density of 6000.41 mW cm<sup>-3</sup>, surpassing most previously reported MXene-based fiber devices. When woven into common textiles with programmable mesh architectures, the fabrics provide adjustable electromagnetic interference (EMI) shielding, with effectiveness up to 23.1 dB in a 1×1 cm<sup>2</sup> grid configuration. This multifunctional Ti<sub>3</sub>C<sub>2</sub>T<sub>x</sub> fiber offers a versatile platform for integrated thermal management, self-powered microsystems, and electromagnetic protection textiles, demonstrating significant potential for next-generation wearable electronics. Supercapacitor ; Electronics ; Wearable technology ; Joule heating ; Textile ; Power density ; Energy storage ; Fiber ; Nanosheet Electromagnetic wave absorption materials ; MXene and MAX Phase Materials ; Thermal Radiation and Cooling Technologies
Authors: Merlin Hauer | Christopher Grimm | Rebekka M Bechtloff | Miguel Alcalde | Selin Kara
Source: ChemRxiv (article, 2026-02-22)
Field: Chemistry — Inorganic Chemistry

Engineered Cascade for Arene Functionalization: Integrating Unspecific Peroxygenase and Halohydrin Dehalogenase for Continuous Flow Systems In pharmaceuticals, aromatic structures are common motifs, underscoring the need for efficient and sustainable functionalization of arene compounds, particularly in late-stage functionalization.This study presents an innovative biocatalytic cascade that integrates unspecific peroxygenases (UPO, PaDa-I mutant) with halohydrin dehalogenases (HHDH) for the functionalization of arene compounds in continuously operated 3D-printed microfluidic reactors.Significant advancements were achieved in the design of our microfluidic devices, where we incorporated HPLC screw fittings to minimize leakage and enhance compatibility with conventional flow equipment.To immobilize PaDa-I, we explored three covalent methods:(i) poly-dopamine (PDA) surface coating, (ii) PDA with co-polymerized polyethyleneimine, and (iii) carbodiimide crosslinking.Among these, carbodiimide crosslinking achieved the highest activity yield (27%) under continuous-flow conditions, representing the most efficient immobilization reported to date for PaDa-I.We addressed the instability of UPOs in the presence of hydrogen peroxide by substituting it by ascorbic acid (AscA) during the epoxidation of styrene derivatives, achieving a 37% yield using a fed-batch approach.This increased the operational stability of PaDa-I to six days while maintaining a styrene oxide productivity at 17 M/h.Moreover, we implemented a sophisticated assay to evaluate the epoxidation reaction within the UPO-HHDH cascade.By employing EMIN340 and EMIN510 mutants from the commercial HHDH kit of Enzymaster , which facilitated the conversion of freshly produced styrene oxide to N-phenyl-2-oxazolidinone using PaDa-I, a 1.3% yield was achieved over two steps.Notably, the use of AscA in the epoxidation increased the efficiency to a final yield of 11% styrene oxide, compared to an initial yield of 4% with H2O2.These findings underscore the potential of this biocatalytic cascade for continuous-flow applications, offering improved enzyme stability and activity, with promising prospects for further optimization and broader implementation. Continuous flow ; Cascade ; Flow (mathematics) ; Sequence (biology) ; Kinetics Metal-Catalyzed Oxygenation Mechanisms ; Microbial bioremediation and biosurfactants ; Enzyme-mediated dye degradation
Authors: Yilin Tang | Ziheng Huang | Keyue Tian | Feng Luo
Source: Sensors & Diagnostics (article, 2026-01-01)
Field: Materials Science — Biomaterials

Transition metal dichalcogenides as platforms for biosensing, phototherapy, and drug delivery TMDCs can be prepared by mechanical exfoliation, CVD, or solution exfoliation, and can be functionalized with antibodies, peptides, or small molecules. Key barriers are biocompatibility, scalable production, and targeting. Transition metal ; Drug delivery ; Key (lock) ; Scalability ; Scale (ratio) Supramolecular Self-Assembly in Materials ; Nanoplatforms for cancer theranostics ; Luminescence and Fluorescent Materials
Authors: Alexander Stevens | Hannah Osterholz | Vsevolod Viliuga | Thibault Vosselman | Surabhi Kokane | Erik G. Marklund | Arne Elofsson | Axel Leppert | Michael Landreh
Source: QRB Discovery (article, 2026-01-01)
Field: Chemistry — Spectroscopy

Mass spectrometry integrates protein design into structural biology method development Abstract Recent advances in machine learning (ML) have transformed protein science, enabling engineering and de novo design of artificial proteins with novel structures and functions. However, experimental analysis of key design features, such as oligomerization, folding, ligand binding, and dynamic conformational changes, remains critical. Here, we outline how mass spectrometry (MS) complements protein design through its ability to corroborate a wide range of design objectives. Furthermore, engineered proteins have become valuable tools for exploring the use of MS in detecting structural features, charge effects, and weak interactions by serving as testbeds for method development. Integrating ML and native MS thus creates a feedback loop: new designs challenge analytical techniques, while improved methods provide richer data to guide and improve future predictions. This synergy is vital for expanding the capabilities of protein engineering, including toward applications in synthetic biology and artificial protocell development. Protein design ; Structural biology ; Protocell ; Synthetic biology ; Protein engineering ; Key (lock) ; Mass spectrometry ; Design elements and principles Mass Spectrometry Techniques and Applications ; Protein Structure and Dynamics ; RNA and protein synthesis mechanisms
Authors: Yanyu Jiang | Minghui Du | Xile Han | Zhuobei Deng | Jie Mao | Liang Chen | Yifan Wang | Ying Liu | Yafei Li | Ruohui Wang | Chuantao Zheng Chuantao Zheng | Tuan Guo
Source: Light Advanced Manufacturing (article, 2026-01-01)
Field: Chemistry — Spectroscopy

Microcavity-enhanced optoelectronic fiber photoacoustic spectroscopy for ppb-level trace gas sensing Photoacoustic spectroscopy is a highly sensitive analytical technique for trace chemical detection in gaseous and liquid phases.Conventional systems relying on free-space optics face limitations in light-matter interaction efficiency and electronic integration.To address this, we developed a miniaturized, ultrasensitive photoacoustic spectroscopy gas sensor by integrating a thermally drawn multi-material optoelectronic fiber, a T-type resonant photoacoustic cell, and a MEMS microphone at the fiber tip.This system enables amplified light-gas interactions and simultaneous electrical signal acquisition, achieving ppb-level detection within seconds using sub-microliter sample volumes (0.02 mL).By leveraging mass-producible optoelectronic fibers and MEMS technology, this work establishes a new class of optical sensors featuring compact size, ultrahigh sensitivity, environmental robustness, and scalable multiplexed detection capabilities for harsh environments. Photoacoustic spectroscopy ; Trace gas ; Optical fiber ; TRACE (psycholinguistics) ; Spectroscopy ; Photoacoustic imaging in biomedicine Spectroscopy and Laser Applications ; Advanced Fiber Optic Sensors ; Gas Sensing Nanomaterials and Sensors
Authors: Alaa Hassan Said | Fatma. Shaibah | M. Moustafa | Rokaia B. Elamary
Source: Journal of Sol-Gel Science and Technology (article, 2026-02-05)
Field: Materials Science — Materials Chemistry

Harnessing plant extracts for zinc oxide nanoparticles: a greener route to enhanced biocompatibility and therapeutic potential Abstract The green synthesis of metal oxide nanoparticles has emerged as a sustainable and eco-friendly alternative to conventional chemical methods. Utilizing plant-derived phytochemicals as natural reducing and stabilizing agents, this approach eliminates hazardous chemicals and energy-intensive processes. Beyond environmental benefits, green synthesis influences the physicochemical and biological properties of nanoparticles by enhancing surface functionality, stability, and bioactivity. Zinc oxide nanoparticles are widely favored in biomedical applications due to their biocompatibility, affordability, and low toxicity. Their therapeutic effects, especially in anticancer and antibacterial applications, arise from their ability to generate reactive oxygen species, release Zn 2+ ions, and induce apoptosis. This study synthesized ZnO NPs via chemical and green routes using aqueous extracts from Medicago sativa , Euphorbia milii , Codiaeum variegatum , and Helianthus annuus . Structural analysis confirmed that green synthesis did not alter the ZnO crystalline structure. However, biological activities varied significantly by plant extract. Codiaeum variegatum -mediated ZnO NPs showed superior antioxidant activity (60.8% DPPH scavenging) and strong cytotoxicity against A549 lung cancer cells (94.7% reduction). Chemically synthesized ZnO NPs exhibited notable anti-inflammatory activity (90.4%). ZnO NPs from Medicago sativa demonstrated potent antidiabetic effects via α-amylase (86.5%) and α-glucosidase (85.7%) inhibition. All ZnO NPs inhibited the growth of Escherichia coli , Klebsiella pneumonia, Streptococcus pyrogenes , and Staphylococcus aureus with maximum MBC value 47.4 mg/ml of chemogenic ZnO NPs against S. aureus and 44.4 mg/ml for biogenic ZnO NPs against S. pyrogenes . Additionally, Medicago sativa ZnO NPs recorded the highest suppression of S. pyogenes biofilm formation by 79%. The obtained results highlight the role of green synthesis as an effective strategy to tailor ZnO NP bioactivity for biomedical applications. Biocompatibility ; Zinc ; Nanoparticle ; Cytotoxicity ; Aqueous solution ; Antibacterial activity ; Green chemistry ; Antioxidant Nanoparticles: synthesis and applications ; Magnesium Oxide Properties and Applications ; Curcumin's Biomedical Applications
Authors: Hao Liang | Xin Yang | Nan Wang | Xinyue Lu | Wenwu Zou | Aicun Zhou | Xiongwei Lou | Yufei Lin
Source: Sensors (article, 2026-04-11)
Field: Chemistry — Analytical Chemistry

Beyond Conventional Methods: Rapid and Precise Quantification of Polyphenols in Vigna umbellata via Hyperspectral Imaging Enhanced by Multi-Scale Residual CNN Vigna umbellate, a typical edible and medicinal crop, is rich in polyphenolic compounds with antioxidant, antibacterial, anti-inflammatory, and lipid-regulating activities. However, traditional methods for polyphenol content detection rely on chemical analysis, which is cumbersome and time-consuming, making it difficult to meet the demands of high-throughput rapid detection. Although hyperspectral imaging technology offers the potential for non-destructive and rapid detection, existing analytical methods are often limited by issues such as high spectral band redundancy, insufficient feature extraction, and inadequate model stability, which constrain prediction accuracy and practical application potential. To address this, this study proposes a multi-scale residual convolutional neural network (MS-RCNN) based on competitive adaptive reweighted sampling (CARS) for feature band selection, combined with near-infrared hyperspectral imaging technology, to construct a rapid and non-destructive prediction model for the polyphenol content of Vigna umbellata. The model employs a parallel multi-scale convolutional module to extract spectral features with different receptive fields, and incorporates residual connections and adaptive pooling mechanisms to enhance feature reuse and robustness. Experiments compared the performance of partial least squares regression (PLSR), least squares support vector machine (LS-SVM), multi-scale convolutional neural network (MS-CNN), and MS-RCNN models. The results indicate that the MS-RCNN model based on CARS screening achieved the best prediction performance, with a coefficient of determination (R2) of 0.9467, a root mean square error of prediction (RMSEP) of 0.0448, and a residual predictive deviation (RPD) of 4.33. Compared with the optimal PLSR and LSSVM models, its R2 values were improved by 0.2078 and 0.1119, respectively. In summary, the MS-RCNN model proposed in this study enables rapid, non-destructive, and accurate prediction of polyphenol content in Vigna umbellata, providing an efficient technical approach for quality detection of edible and medicinal crops. Hyperspectral imaging ; Residual ; Partial least squares regression ; Convolutional neural network ; Pattern recognition (psychology) ; Support vector machine ; Mean squared error ; Feature (linguistics) Spectroscopy and Chemometric Analyses ; Remote-Sensing Image Classification ; Advanced Chemical Sensor Technologies
Authors: Jialu Zheng | Xiwen Zhu | Wei Wang | Songrui Xie | Wenyi Ma | Shishi Shao | Hanbing Nie | Yan Jie Li | Zheng Zheng | Cheng Zhi Huang | Peng Fei Gao
Source: Nature Communications (article, 2026-02-27)
Field: Chemistry — Physical and Theoretical Chemistry

Visualizing molecular diffusion direction and processes in the solid state via dichromatic fluorescent cocrystalization transformation Solid-state molecular motion (SSMM) plays a critical role in enriching material properties and functions, yet visualizing its detailed dynamics including direction, progression, and velocity to thoroughly elucidate its mechanism remains a great challenge. Herein, an intermolecular charge transfer (ICT)-mediated fluorescence strategy is developed to visualize and regulate SSMM in binary cocrystal systems, utilizing 6-methoxy-2-acetylnaphthalene (MA)/1,2,4,5-tetracyanobenzene (TCNB) as modeling platform. This approach leverages the reversible transformation between MA/TCNB = 1/1 (MT1, yellow emission) and MA/TCNB = 1/2 (MT2, green emission) crystalline phases, enabling real-time visualization of detailed SSMM information via localized dichromatic fluorescence signatures. It reveals an unexpected significant disparity in diffusion rates between electron donor MA and electron acceptor TCNB during the diffusion process at their interface, even exhibiting unidirectional diffusion from MA to TCNB within a restricted time. Applications demonstrated include pretreatment-free impurity analysis of MA (a key impurity in naproxen) down to 0.1% leveraging the fluorescence shift, and real-time monitoring of transesterification reactions based on the differing interaction capabilities of various naproxen esterification derivatives with TCNB. This study not only provides fundamental insights into SSMM and cocrystallization mechanisms but also demonstrates the potential of charge transfer cocrystallization for molecular sensing and dynamic reaction monitoring. Cocrystal ; Intermolecular force ; Fluorescence ; Diffusion ; Electron transfer ; Acceptor ; Molecular dynamics ; Impurity ; Electron acceptor Crystallography and molecular interactions ; Luminescence and Fluorescent Materials ; X-ray Diffraction in Crystallography
Authors: Hongquan Wen | Jiao Chen | Yuwen Xiang | Yang Yang | Jie Luo | Huawen Hu
Source: Journal of Applied Polymer Science (article, 2026-02-18)
Field: Materials Science — Biomaterials

Scalable Solution Blow‐Spun, Glutaraldehyde‐Crosslinked <scp>PVA</scp> Nanofibers for Methylene Blue Adsorption ABSTRACT In this work, a simple and scalable strategy is developed to fabricate robust poly(vinyl alcohol) (PVA) nanofiber mats via solution blow spinning (SBS), followed by chemical crosslinking using glutaraldehyde (GA). Blending high‐ and low‐molecular‐weight PVA at a mass ratio of 7:3 (total polymer concentration of 20 wt%) effectively tailors solution rheology and spinnability, enabling the formation of uniform nanofibers under high‐throughput SBS conditions. Subsequent thermal treatment promotes acetal linkage formation between PVA chains, resulting in markedly enhanced thermal and structural stability, as confirmed by Fourier‐transform infrared spectroscopy and thermogravimetric analysis. Batch adsorption experiments using methylene blue (MB) as a model dye reveal limited adsorption capacity under the investigated conditions, with the adsorption process not reaching equilibrium within the tested time window. Kinetic analysis indicates that the uptake behavior is governed primarily by surface site availability and weak physical interactions, consistent with hydrogen‐bond‐mediated binding between MB molecules and the PVA nanofiber surface. These results highlight that while GA‐crosslinked PVA nanofibers provide a structurally stable and scalable platform, further surface functionalization will be required to strengthen interfacial interactions and enhance adsorption performance in future studies. Nanofiber ; Adsorption ; Thermogravimetric analysis ; Glutaraldehyde ; Polymer ; Surface modification ; Methylene blue Electrospun Nanofibers in Biomedical Applications ; Hydrogels: synthesis, properties, applications ; Polymer Surface Interaction Studies