jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Xiaojing Gao | Xuhui Kan | Fengfeng Du | Linhe Sun | Xixi Li | Jixiang Liu | Xiaojing Liu | Dongrui Yao
Source: Foods (article, 2025-02-06)
Field: Chemistry — Analytical Chemistry

The Manufacturing Process of Lotus (Nelumbo Nucifera) Leaf Black Tea and Its Microbial Diversity Analysis Lotus leaves combine both edible and medicinal properties and are rich in nutrients and bioactive compounds. In this study, the lotus leaf tea was prepared using a black tea fermentation process, and the functional components and microbial changes during fermentation were investigated. The results indicated that the activity of polyphenol oxidase showed an initial rise followed by a decline as fermentation progressed, peaked at 3 h with 1.07 enzyme activity units during fermentation. The lotus leaf fermented tea has high levels of soluble sugars (20.92 ± 0.53 mg/g), total flavonoids (1.59 ± 0.05 mg GAE/g), and total polyphenols (41.34 ± 0.87 mg RE/g). Its antioxidant activity was evaluated using ABTS, DPPH, and hydroxyl radical scavenging assays, with results of 18.90 ± 1.02 mg Vc/g, 47.62 ± 0.51 mg Vc/g, and 17.58 ± 1.06 mg Vc/g, respectively. The microbial community also shifted during fermentation. <i>Fusarium</i> played a significant role during the fermentation process. This study demonstrated that the black tea fermentation process improved the functional components and biological activity of lotus leaf tea by optimizing the synergistic effect of enzymatic oxidation and microbial fermentation. The findings not only realized the comprehensive utilization of lotus leaf resources but also provided a foundation for developing innovative functional beverages with enhanced bioactive properties. Fermentation ; ABTS ; Polyphenol ; Food science ; Lotus ; DPPH ; Chemistry ; Polyphenol oxidase ; Lotus effect ; Antioxidant ; Botany ; Biology ; Raw material ; Biochemistry ; Enzyme ; Organic chemistry Chromatography in Natural Products ; Tea Polyphenols and Effects ; Food Quality and Safety Studies
Authors: Lin Xiao | Mei Duan | Hui Zhang | Haohao Jiang | Heng Liu | Xianglong Pang | Wenjun Tian | Chung‐Bang Yun | Xiaoguang Li
Source: Droplet (article, 2025-01-16)
Field: Materials Science — Materials Chemistry

Multiwell plate integrated with transparent liquid marbles for 3D cell culturing Abstract The development of 3D cell culturing toward labor saving and versatility is highly desired. Here, we propose a platform consisting of a multiwell plate and liquid marbles (LMs). The inner walls of the plate are covered with particle‐detachable superhydrophobic coatings that serve as both the substrates and particle sources for LM production. A produced LM, which serves as a minireactor for the 3D culture, features a monolayer nanoparticulate shell and naked‐droplet‐like transparency. The LM‐in‐plate platform provides a double‐superhydrophobic environment that increases the stability of the 3D culture and reduces the necessary operational cautions. In addition, both cell observation and high‐throughput applications can be conducted in situ, owing to the high LM transparency and the multiwell structure, respectively. This platform integrates the advantages of naked droplets (transparent and clean), LMs (stable non‐wetting), and multiwell plates (high‐throughput capability) and thus is promising for labor‐saving and versatile 3D culturing. Materials science ; Liquid medium ; Composite material ; Chemistry ; Chromatography Pickering emulsions and particle stabilization ; Biocrusts and Microbial Ecology
Authors: Aneeza Ishfaq | Sabir Hussain | Tanvir Shahzad | Muhammad Shahid | Faisal Mahmood | Irfan Haidri | İmran Khan | Mahmoud F. Seleiman | Muhammad Ahsan Asghar | Muhammad Fuad Anshori
Source: Notulae Botanicae Horti Agrobotanici Cluj-Napoca (article, 2025-06-29)
Field: Materials Science — Materials Chemistry

Sustainable agriculture through nano-priming: Evaluating the role of biogenic manganese oxide nanoparticles in mitigating wastewater-induced stress in wheat (Triticum aestivum) Nanoparticles have potential to mitigate the harmful effects of wastewater in agricultural crop, reducing crop contamination and improving wheat growth and development. However, no information has been reported concerning the impact of seed priming of biogenic MnO-NPs on the germination and physiochemical parameters of wheat crop under wastewater stress condition. The current study examined the impact of primed seed with biosynthesized manganese oxide nanoparticles (MnO-NPs) from Bacillus flexus on wheat growth under wastewater stress. This study was conducted in a pot experiment. Wheat seeds were primed with different concentrations of MnO-NPs (0, 20,40, 60, 80, and 100 mg L-1). Primed seeds were sown in wastewater-polluted soil. The pot experiment was conducted for 30 days. The soil in the pots was kept consistently moist, with moisture levels at about 60-70% of the soil's maximum water-holding capacity. Control included seeds without MnO-NP priming. The wastewater contained contaminants such as heavy metals and organic pollutants. The result showed that 80 mg L-1MnO-NP treatment showed a more positive impact in combating wastewater stress. MnO-NPs at 80 mg L-1 positively influenced wheat seed germination parameters up to 57% and growth attributes by 63.75% compared to the control treatment. Moreover, seed priming with MnO-NPs at 80 mg L-1 improved gas exchange attributes by 67%, increased chlorophyll contents by 53.5%, and enhanced antioxidant enzyme activities: 38% for superoxide dismutase (SOD), 61% for ascorbate peroxidase (APX), 65% for catalase (CAT), and 55% for peroxidase (POD). Meanwhile, hydrogen peroxide(H2O2), malondialdehyde (MDA), and electrolyte leakage (EL) were decreased by 51%, 69%, and 52% respectively. These results demonstrate that primed seed with MnO-NPs can significantly enhance wheat's germination and biochemical attributes under wastewater stress, providing a promising approach for improving crop resilience and productivity in wastewater polluted conditions. Nano- ; Wastewater ; Manganese ; Manganese oxide ; Nanoparticle ; Sustainable agriculture ; Priming (agriculture) ; Agriculture ; Agronomy ; Materials science ; Environmental science ; Chemistry ; Metallurgy ; Nanotechnology ; Environmental engineering ; Composite material ; Biology ; Ecology Nanoparticles: synthesis and applications
Authors: Sandesh V. Gaikwad | Pushpinder G. Bhatia | Digambar M. Sapkal | Deepak P. Dubal | G. M. Lohar
Source: Electron (article, 2025-05-01)
Field: Materials Science — Materials Chemistry

Exploring Quantum Capacitance and Adsorption Energy of Alkali Metal on NiO Using First‐Principles DFT Calculations ABSTRACT This study presents an analysis of the structural, electronic, and surface properties of NiO using first‐principles density functional theory (DFT) calculations. The investigation focuses on three lattice parameters ( a = 4.23 Å, 4.187 Å, and 4.183 Å) to explore how lattice strain influences the electronic band structure, density of states (DOS), quantum capacitance (QC), and adsorption energies of alkali metals (Li, Na, K) on the NiO [001] and [111] planes. The study reveals that a decrease in the lattice parameter leads to a reduction in the band gap (from 2.28 to 2.19 eV). The adsorption energies demonstrate a strong surface reactivity, with Li showing the highest affinity for the NiO [001] surface and Na exhibiting the highest adsorption energy on the more reactive NiO [111] surface. The QC analysis demonstrated notable enhancements following alkali metal adsorption, with Li on the NiO [001] surface exhibiting a QC of 38.9 μF/cm 2 at a = 4.23 Å, whereas Na on the NiO [111] surface achieved a QC of 32.7 μF/cm 2 at a = 4.187 Å. These findings underscore the critical role of lattice strain and surface orientation in modulating the electrochemical performance of NiO, with potential applications in catalysis, energy storage, and electronic devices. Non-blocking I/O ; Alkali metal ; Capacitance ; Adsorption ; Materials science ; Quantum ; Chemical physics ; Metal ; Condensed matter physics ; Engineering physics ; Nanotechnology ; Chemistry ; Physical chemistry ; Physics ; Quantum mechanics ; Metallurgy Electronic and Structural Properties of Oxides ; Gas Sensing Nanomaterials and Sensors ; Copper-based nanomaterials and applications
Authors: Esubalew Kasaw Gebeyehu | Rekha Shresth | Tonmoy Saha | Jenni Tienaho | Ulla Jauhiainen | Ali Tarhini | Ali Reza Tehrani‐Bagha
Source: Bioresources and Bioprocessing (article, 2025-02-15)
Field: Materials Science — Biomaterials

Antibacterial and physicomechanical properties of cellulosic nonwovens functionalized with chitosan: a study on interaction effects of influencing factors and assessment methods The growing demand for antimicrobial textiles and environmental concerns over synthetic agents have driven interest in biobased agents like chitosan, an eco-friendly alternative reported with variable effectiveness on textiles. This research investigates the effects of chitosan's molecular weight, concentration, treatment method, and their interaction effects on the antibacterial and physicomechanical properties of cellulosic nonwovens. The role of culture medium dynamics in antibacterial testing was also examined. Chitosan with low (30 kDa), medium (250 kDa) and high (2100 kDa) molecular weights at concentrations of 1 to 15 g/L was applied using pad-dry and dip-dry methods, with dip coating resulting in higher chitosan deposition. Antibacterial activity against Escherichia coli (E. coli) was assessed using three methods: agar diffusion, a luminescent bacterial biosensor assay, and log reduction of colony-forming units (CFU/mL) in a time-kill test. While the first two test methods showed no antibacterial effect, CFU/mL revealed significant activity with interaction effects showing that the dip-coated, 30 kDa chitosan above a concentration of 5 g/L achieved complete bacterial reduction. The enhanced antibacterial performance of chitosan-coated cellulosic substrates, compared to chitosan in a culture medium, highlighted the role of cellulosic nonwoven in boosting antibacterial effectiveness, likely through improved contact and interaction with bacterial cells. The study demonstrated that chitosan-treated cellulosic nonwovens, particularly with dip-dry coating altered tensile strength and increased the bending resistance and bending stiffness. Chitosan ; Antibacterial activity ; Cellulosic ethanol ; Materials science ; Bacterial growth ; Chemistry ; Food science ; Cellulose ; Bacteria ; Organic chemistry ; Biology Nanocomposite Films for Food Packaging ; Dyeing and Modifying Textile Fibers ; Antimicrobial agents and applications
Authors: Eui Ju Jeon | Seungwon Jung | Yoon‐ha Jang | Seoyoung Lee | Song‐Ee Choi | Soyoung Jeon | Lee Keun Yoon | Bong Kyun Kim | Taejin Kim | Kuenyoul Park | Seok Chung | Yong Shin | Sung‐Han Kim | Heungsup Sung | Sang Kyung Kim
Source: Advanced Science (article, 2025-01-16)
Field: Materials Science — Materials Chemistry

Thermally Triggered Double Emulsion‐Integrated Hydrogel Microparticles for Multiplexed Molecular Diagnostics During the COVID-19 pandemic, reverse transcription-quantitative polymerase chain reaction (RT-qPCR) has been recognized as the most reliable diagnostic tool. However, there is a need to develop multiplexed assays capable of analyzing multiple genes simultaneously to expand its application. To address this, a multiplexed RT-qPCR using a double emulsion (DE)-based carrier and a polymer microparticle reactor, termed primer-incorporated network tailored with Taqman probe (TaqPIN) is developed. The DE securely stores nucleic acid reagents like primers and probes within the polymer network until heating releases them for the reaction. The TaqPIN RT-qPCR demonstrates an amplification efficiency of 93.8% and can detect as few as 20 copies/µL. By loading the multiple microparticles into a single reaction, a multiplexed assay with only one optical channel is enabled. In practice, a nine-plex assay is designed to distinguish between variants of the severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2). Even subtle variations of a single nucleotide can be simultaneously detected. Testing on 75 nasopharyngeal swab samples yields 100% sensitivity and specificity for SARS-CoV-2 detection and 94% accuracy in variant discrimination. Emulsion ; Materials science ; Microparticle ; Nanotechnology ; Multiplexing ; Chemical engineering ; Computer science ; Engineering Pickering emulsions and particle stabilization ; Proteins in Food Systems ; Innovative Microfluidic and Catalytic Techniques Innovation
Authors: Nobumitsu Hirai | Yukihiro Miwa | Shinya Hattori | Hideyuki Kanematsu | Akiko Ogawa | Futoshi Iwata
Source: Microorganisms (article, 2025-07-30)
Field: Chemistry — Electrochemistry

Three-Dimensional Structure of Biofilm Formed on Glass Surfaces Revealed Using Scanning Ion Conductance Microscopy Combined with Confocal Laser Scanning Microscopy Biofilms cause a variety of problems, such as food spoilage, food poisoning, infection, tooth decay, periodontal disease, and metal corrosion, so knowledge on biofilm prevention and removal is important. A detailed observation of the three-dimensional structure of biofilms on the nanoscale is expected to provide insight into this. In this study, we report on the successful in situ nanoscale observations of a marine bacterial biofilm on glass in phosphate buffer solution (PBS) using both scanning ion conductance microscopy (SICM) and confocal laser scanning microscopy (CLSM) over the same area. By observing the same area by SICM and CLSM, we were able to clarify the three-dimensional morphology of the biofilm, the arrangement of bacteria within the biofilm, and the difference in local ion conductivity within the biofilm simultaneously, which could not be achieved by observation using a microscope alone. Biofilm ; Nanoscopic scale ; Confocal laser scanning microscopy ; Microscopy ; Materials science ; Scanning ion-conductance microscopy ; Confocal microscopy ; Scanning probe microscopy ; Scanning electrochemical microscopy ; Nanotechnology ; Laser Microscopy ; Confocal ; Chemistry ; Chemical engineering ; Scanning electron microscope ; Biophysics ; Scanning confocal electron microscopy ; Bacteria ; Optics ; Composite material ; Electrochemistry ; Biology ; Electrode Electrochemical Analysis and Applications ; Corrosion Behavior and Inhibition ; Analytical Chemistry and Sensors
Authors: Sining Wang | Yi Wen | Shulin Bai | Lizhong Su | Yongxin Qin | Yingcai Zhu | Yaokun Wang | Yuting Qiu | Li‐Dong Zhao
Source: Nature Communications (article, 2025-11-24)
Field: Materials Science — Materials Chemistry

Enhanced Lattice Symmetry via Mn Doping Boosts Electrical Transport Performance in Rhombohedral GeSe Thermoelectric Materials Low-symmetry thermoelectric material GeSe exhibits inherently low thermal conductivity but suppressed electrical transport properties. Here, we demonstrate that Mn doping in AgBiTe<sub>2</sub>-alloyed rhombohedral GeSe introduces band engineering and further significantly enhances lattice symmetry. Mn-induced resonant energy levels enhance the density of states effective mass and significantly optimize the Seebeck coefficient. Crucially, elevated lattice symmetry reduces deformation potential and weakens phonon-electron coupling, triggering a 185% surge in carrier mobility despite a ~1.2-fold increase in the effective mass. The synergistically optimized Seebeck coefficient and electrical conductivity enable the high-symmetry (GeMn<sub>0.005</sub>Se)<sub>0.9</sub>(AgBiTe<sub>2</sub>)<sub>0.1</sub> sample to achieve a record average power factor of ~17 μW cm<sup>-1</sup> K<sup>-2</sup> over 300-673 K while retaining low lattice thermal conductivity. Consequently, a maximum ZT of ~1.50 at 673 K and an average ZT of ~0.94 (300-673 K) are achieved, yielding a single-leg thermoelectric conversion efficiency of ~6.1% under a temperature difference of 325 K. This lattice symmetry manipulation through rational doping provides a universal pathway to promote phonon-electron decoupling and enhances thermoelectric performance in low-symmetry thermoelectric materials. Thermoelectric effect ; Seebeck coefficient ; Thermoelectric materials ; Doping ; Electrical resistivity and conductivity ; Decoupling (probability) ; Thermal conductivity Advanced Thermoelectric Materials and Devices ; Topological Materials and Phenomena ; 2D Materials and Applications
Authors: Yeliz Güleşci Kartal | Wisam Ayad Ahmed Ahmed | Evren Görkem Özdemir | Semih Doğruer | Fadime Irmak BALMUMCU | Ziya Merdan
Source: Theoretical Chemistry Accounts (article, 2025-01-29)
Field: Materials Science — Electronic, Optical and Magnetic Materials

An alternative material obtained for spintronic applications using first-principles approximations: TiV2Se4 spinel Spintronics ; Spinel ; Materials science ; Computational chemistry ; Statistical physics ; Computer science ; Chemistry ; Physics ; Condensed matter physics ; Ferromagnetism ; Metallurgy Heusler alloys: electronic and magnetic properties ; Magnetic and transport properties of perovskites and related materials ; Advanced Condensed Matter Physics
Authors: Zhengyang Gao | Chu Wang | Mingzhe Li | Zhiwei Miao | Yuxuan Liu | Kun Guo | Yongqian Zhang | Weijie Yang
Source: Energy & Fuels (article, 2025-02-21)
Field: Materials Science — Materials Chemistry

Fine-Tuning the Activity Volcano of Single-Atom Iron Catalysts in NH<sub>3</sub>–SCR Regulated by Local Coordination Environment Although advanced single-atom catalysts (SACs) have demonstrated remarkable performance in various catalytic fields, their application in selective catalytic reduction with ammonia (NH3–SCR) remains challenging due to the lack of fundamental theoretical guidance. To address this, we propose a strategy for regulating the local coordination environment by modulating the coordination of nonmetal elements around the metal center, aiming to fine-tune the catalytic activity of SACs for NH3–SCR. In this study, seven theoretical models of single-atom iron catalysts anchored on double-vacancy graphene substrates doped with three nitrogen atoms and one nonmetal atom (Fe–N3X, X = B, C, N, O, S, P, Cl) are constructed. The reaction pathways of these Fe–N3X catalysts in NH3–SCR have been systematically investigated. The activity volcano map of NH3–SCR based on the NO2 adsorption energy is established, and the catalytic activities of 30 different SACs are evaluated. Regulating the local coordination environment of the single-atom iron catalyst can fine-tune the active volcano map of the catalyst in a small range (activity, −0.7 to −1.6), while changing the active center can roughly regulate the volcano map in a wide range (activity, −0.8 to −3.5). Based on this fine-tuning strategy, we successfully improve the catalytic activities of single-atom Zn and Mn catalysts by modulating the types of coordinated nonmetal atoms. Furthermore, a linear relationship between charge transfer and NO2 adsorption energy is established, providing insights into the origin of the activity fine-tuning strategy at the electronic structure level. This work provides a novel approach to catalyst activity regulation and offers valuable guidance for designing advanced NH3–SCR catalysts. Catalysis ; Atom (system on chip) ; Chemistry ; Volcano ; Chemical engineering ; Inorganic chemistry ; Geochemistry ; Computer science ; Organic chemistry ; Geology ; Engineering Catalytic Processes in Materials Science ; Ammonia Synthesis and Nitrogen Reduction ; Nanomaterials for catalytic reactions
Authors: Ivan Tambovtsev | Yorick L. A. Schmerwitz | Gianluca Levi | Darina D. Darmoroz | Pavel V. Nesterov | Tetiana Orlova | Hannes Jónsson
Source: The Journal of Physical Chemistry Letters (article, 2025-04-14)
Field: Materials Science — Materials Chemistry

Fine Tuning of the Rotational Speed of Light-Driven, Second-Generation Molecular Motors by Fluorine Substitution The elementary steps in the rotation of several second-generation molecular motors are analyzed by finding the minimum energy path between the metastable and stable states and evaluating the transition rate within harmonic transition state theory based on energetics obtained from density functional theory. Comparison with published experimental data shows remarkably good agreement and demonstrates the predictive capability of this approach. While previous measurements by Feringa and co-workers have shown that a replacement of the hydrogen atom at the stereogenic center by a fluorine atom can slow down the rate-limiting thermal helix inversion (THI) step by raising the energy of the transition state, even to the extent that the backreaction in the ground state becomes preferred in some cases, we find that a replacement of a CH<sub>3</sub> group by CF<sub>3</sub> at the same site accelerates the THI by elevating the energy of the metastable state without affecting the transition state significantly. Since these two fluorine substitutions have an opposite effect on the rate of the THI, the combination of both can provide ways to fine-tune the rotational speed of molecular motors. Substitution (logic) ; Fluorine ; Molecular motor ; Rotational speed ; Work (physics) ; Materials science ; Chemistry ; Nanotechnology ; Engineering ; Mechanical engineering ; Computer science ; Organic chemistry Diamond and Carbon-based Materials Research ; Porphyrin and Phthalocyanine Chemistry ; Atomic and Subatomic Physics Research
Authors: Runze Wang | Min Yang | Yanming Shen
Source: Proceedings of the AAAI Conference on Artificial Intelligence (article, 2025-04-11)
Field: Materials Science — Materials Chemistry

Bridging Molecular Graphs and Large Language Models While Large Language Models (LLMs) have shown exceptional generalization capabilities, their ability to process graph data, such as molecular structures, remains limited. To bridge this gap, this paper proposes Graph2Token, an efficient solution that aligns graph tokens to LLM tokens. The key idea is to represent a graph token with the LLM token vocabulary, without fine-tuning the LLM backbone. To achieve this goal, we first construct a molecule-text paired dataset from multi-sources, including CHEBI and HMDB, to train a graph structure encoder, which reduces the distance between graphs and texts representations in the feature space. Then, we propose a novel alignment strategy that associates a graph token with LLM tokens. To further unleash the potential of LLMs, we collect molecular IUPAC name identifiers, which are incorporated into the LLM prompts. By aligning molecular graphs as special tokens, we can activate LLMs' generalization ability to molecular few-shot learning. Extensive experiments on molecular classification and regression tasks demonstrate the effectiveness of our proposed Graph2Token. Bridging (networking) ; Computer science ; Linguistics ; Philosophy Machine Learning in Materials Science ; Computational Drug Discovery Methods ; Biomedical Text Mining and Ontologies
Authors: Shuang‐Shuang Hou | Shiwei Jin | Bien Tan
Source: Separation and Purification Technology (article, 2025-02-22)
Field: Materials Science — Materials Chemistry

Fine-tuning structural porosity and methane storage capacity of hyper-cross-linked polymers via aromatic external cross-linkers Porosity ; Polymer ; Methane ; Chemical engineering ; Materials science ; Cross-link ; Polymer chemistry ; Chemistry ; Nanotechnology ; Organic chemistry ; Composite material ; Engineering Covalent Organic Framework Applications ; Metal-Organic Frameworks: Synthesis and Applications ; Membrane Separation and Gas Transport