jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Fathy M. Elkady | Bahaa Mohammed Badr | Ebrahim Saied | Amr H. Hashem | Mohammed S. Abdulrahman | Mohammad M Alkherkhisy | Tharwat A. Selim | Fahad M. Alshabrmi | Eid A. Alatawi | Faris F. Aba Alkhayl | Ayman Salama | Moselhy S. Mansy | Mohammed Aufy
Source: Scientific Reports (article, 2025-05-28)
Field: Materials Science — Materials Chemistry

Mycosynthesis of zinc oxide nanoparticles using Mucor racemosus with their antimicrobial, antibiofilm, anticancer and antioxidant activities The unregulated administration of currently available antimicrobial agents resulted in overspreading of resistant microbial phenotypes. In this study, Mucor racemosus was used for biosynthesis of zinc oxide nanoparticles (ZnO NPs) through fungi-based ecofriendly approach. The biosynthesized of ZnO NPs was initially considered based on analytical practices including UV-vis spectroscopy and transmission electron microscopy (TEM). Additionally, their cytotoxicity and anticancer activity were analyzed using suitable cell lines and their antioxidant effect was also assessed. Microbiologically, their inhibitory activity was comparatively evaluated against various methicillinresistant Staphylococcus aureus (MRSA) and methicillinsensitive Staphylococcus aureus (MSSA). Characterization of ZnO NPs displayed a distinct maximum absorption peak at 320 nm appeared in the UV-vis. Also, TEM revealed predominantly spherical ZnO NPs with particle size distribution ranging from 15 to 55 nm (mean size ≃ 40 nm). The normal cell line (Wi-38) illustrated the biosafety of ZnO NPs, where results showed IC<sub>50</sub> of 197.2 µg/mL. Furthermore, ZnO NPs exhibited promising suppressive activity on Hep-G2 cancerous cell with IC<sub>50</sub> of 51.4 µg/mL. Besides, ZnO NPs displayed antioxidant activity where IC<sub>50</sub> was 69.2 µg/mL. As well, the minimum inhibitory concentrations of ecofriendly ZnO NPs against the tested MRSA and MSSA isolates were ranged from 32 to 512 µg/mL. Also, their minimum bactericidal concentrations against the tested MSSA was in lower range, 32-1024 µg/mL, than the recorded range, 128-1024 µg/mL, against the MSSA. Also, the crystal violet (CV) assay showed an eradication potential of the biosynthesized ZnO NPs on MRSA and MSSA biofilm in a range of 23.24-73.96% and 6.63-74.1%, respectively. In conclusion, the ecofriendly synthesized ZnO NPs with antioxidant and anticancer activities demonstrated promising inhibitory effect on planktonic growth form of MRSA and MSSA clinical isolates with capability to eradicate their preformed biofilm. To achieve their full potential, future research needs to enhance the synthesis process to make ZnO NPs more uniform and scalable, as well as investigate their action mechanisms at the molecular level. Antimicrobial ; Zinc ; Antioxidant ; Chemistry ; Mucor ; Microbiology ; Biochemistry ; Biology ; Food science ; Organic chemistry Nanoparticles: synthesis and applications ; Medicinal Plants and Neuroprotection ; Microbial Metabolism and Applications
Authors: Yunjian Li | Cheng Chen | Zhenning Li | Zongjin Li
Source: Nature Communications (article, 2025-06-19)
Field: Materials Science — Materials Chemistry

High-throughput atomistic modeling of nanocrystalline structure and mechanics of calcium aluminate silicate hydrate Although aluminum-containing cements have gained attention as environmentally friendly construction materials, the nanocrystalline structure and mechanical behavior of their primary hydration product, calcium aluminate silicate hydrate (C-A-S-H), remain poorly understood due to its complex chemical composition and structural disorder. Here, we present a high-throughput atomistic modeling framework to systematically investigate the structural and mechanical properties of C-A-S-H across a broad range of Ca/Si (1.3-1.9) and Al/Si (0-0.15) ratios. The compositional, structural, and mechanical features of C-A-S-H are accurately captured by molecular dynamics simulations of 1600 distinct C-A-S-H structures constructed using our in-house automatic structure generation program, CASHgen. Our findings highlight the influence of Ca/Si and Al/Si ratios on key C-A-S-H characteristics, including the mean chain length (MCL), interlayer spacing, coordination number and elastic moduli. Specifically, C-A-S-H exhibits optimal mechanical performance at a Ca/Si ratio of approximately 1.5, while further increases in Ca/Si introduce disorder and reduce stiffness. In contrast, increasing the Al/Si ratio promotes chain polymerization, leading to longer MCLs and improved mechanical performance. These results provide atomic-scale insights into the structure-property relationships in C-A-S-H and offer design guidelines for high-performance, low-carbon cementitious materials. Nanocrystalline material ; Aluminate ; Materials science ; Calcium silicate hydrate ; Molecular dynamics ; Coordination number ; Calcium silicate ; Nanocrystal ; Chemical engineering ; Chemical physics ; Nanotechnology ; Composite material ; Chemistry ; Ion ; Computational chemistry Magnesium Oxide Properties and Applications ; Concrete and Cement Materials Research ; Layered Double Hydroxides Synthesis and Applications
Authors: Sabrina Bianchi | Michele Pinna | Flavia Bartoli | Pierpaolo Minei | Daniele Filidei | Maria‐Beatrice Coltelli
Source: Polymers (article, 2025-03-12)
Field: Materials Science — Polymers and Plastics

Recycling Textiles: From Post-Consumer Polyester Garments to Materials for Injection Molding The significant waste generated by the fashion industry necessitates sustainable textile recycling strategies. Polyester, made from poly(ethylene terephthalate) (PET), is abundant in post-consumer textiles. Technologies have been developed to convert low-density garment waste into flakes, but the role of color sorting in achieving uniform aesthetics in injection-moldable plastics remains underexplored. This study compares materials extruded from dark color-sorted polyester garment flakes with those from light-color flakes in terms of processability in extrusion and injection molding. The properties examined include melt fluidity, injection molding shrinkage, and mechanical and thermal properties. Commercial chain extenders with anhydride, oxazoline, or epoxide reactive groups were added during extrusion. Interestingly, only dark-colored extruded pellets showed significant degradation, but all the chain extenders allowed melt fluidity to be controlled during reprocessing. The bisoxazoline-based additive was the most promising, due to the highly improved ductility of the samples, regardless of whether they were dark-colored or light-colored. The results indicate significant potential for the industrial recycling of post-consumer textiles and highlight the industrial feasibility of repurposing post-consumer polyester garments. This approach not only supports initiatives of circular economy but also offers a viable solution for managing textile waste, particularly in the fashion industry. Additionally, the suggested recycling route combats the production of microplastics. Polyester ; Materials science ; Extrusion ; Textile ; Molding (decorative) ; Bioplastic ; Composite material ; Colored ; Polymer science ; Waste management Textile materials and evaluations ; Additive Manufacturing and 3D Printing Technologies ; Crafts, Textile, and Design
Authors: Sumea Klokić | Benedetta Marmiroli | Giovanni Birarda | F. Lackner | Paul Holzer | Barbara Sartori | Behnaz Abbasgholi‐NA | Simone Dal Zilio | Rupert Kargl | Karin Stana Kleinschek | Chiaramaria Stani | Lisa Vaccari | Heinz Amenitsch
Source: Nature Communications (article, 2025-08-04)
Field: Chemistry — Inorganic Chemistry

Flexible metal-organic framework films for reversible low-pressure carbon capture and release Transitioning metal-organic frameworks (MOFs) from laboratory-scale to carbon dioxide (CO<sub>2</sub>) capture and storage applications (CCS) requires in-depth understanding of their adsorption properties and structural stability, especially for film assemblies. However, evaluating their performance is challenging, particularly under low or moderate CO<sub>2</sub> pressure conditions, which are key for cost and performance efficiency. Herein, we explore the low-pressure CO<sub>2</sub> uptake and release within flexible Zn-based MOF film structures with diverse ligand functionalities, employing quartz crystal microbalance, synchrotron radiation-based infrared spectromicroscopy and grazing incidence wide-angle X-ray scattering measurements. To investigate CO<sub>2</sub> adsorption and its interaction with Zn-MOF pores, we exploited the framework's flexibility by triggering structural changes and thus variations of the pore-environment using two stimuli, temperature and light. Results show considerable promise for stimuli-induced on-demand CO<sub>2</sub> capture and release at low pressures, demonstrating structural reversibility under near-ambient conditions and highlighting the potential of tailored MOF film structures in advancing green CCS-technologies. Metal-organic framework ; Materials science ; Adsorption ; Quartz crystal microbalance ; Chemical engineering ; Nanotechnology ; Ambient pressure ; Carbon dioxide ; Flexibility (engineering) ; Carbon fibers ; Carbon capture and storage (timeline) ; Synchrotron ; Chemistry ; Composite material ; Optics ; Organic chemistry Metal-Organic Frameworks: Synthesis and Applications ; Covalent Organic Framework Applications ; Carbon Dioxide Capture Technologies
Authors: Assia Ouzani | Yamina Zouambia | Hamida Maachou | Mohamed Krea | Aymen Amine Assadi | Lotfi Khezami | Yacine Benguerba | Jie Zhang | Abdeltif Amrane | Walid Elfalleh | Hichem Tahraoui
Source: Water (article, 2025-04-02)
Field: Chemistry — Analytical Chemistry

Sustainable Removal of Basic Fuchsine and Methylene Blue Dyes Using Chicken Bone Biomass: Thermodynamics, Kinetics, and Insights from Experimental Studies and Decision Tree with Least Squares Boosting Predictive Modeling This study addresses the dual challenges of water pollution and waste management by exploring the valorization of chicken bone biomass in native (NBio) and calcined (CBio) forms as biosorbents for dye removal. Basic fuchsine (BF) and methylene blue (MB) were selected as model pollutants, and adsorption was assessed under varying operational conditions. Characterization using Fourier-transform infrared spectroscopy (FTIR), scanning electron microscopy (SEM), and X-ray diffraction (XRD) showed that calcination improved crystallinity, eliminated organic impurities, and increased surface area (247 m2/g for NBio vs. 370 m2/g for CBio). Adsorption tests revealed higher performance for CBio, with maximum adsorption capacities of 100 mg/g (BF) and 142.85 mg/g (MB) based on the Langmuir isotherm, while NBio with maximum adsorption capacities of 111 mg/g (BF) and 111.11 mg/g (MB) followed the Freundlich model. Adsorption kinetics indicated pseudo-second-order behavior, suggesting chemisorption. The possible interactions between dyes and the biosorbent are hydrogen bonding, electrostatic interactions, and Lewis acid–base interactions. Thermodynamic analysis highlighted exothermic behavior for NBio and endothermic, entropy-driven adsorption for CBio, with both processes being spontaneous. A decision tree with Least Squares Boosting (DT_LSBOOST) provided accurate predictions (R2 = 0.9999, RMSE &lt; 0.003) by integrating key parameters. These findings promote chicken bone biomass as a cost-effective, sustainable biosorbent, offering promising potential in wastewater treatment and environmental remediation. Kinetics ; Methylene blue ; Boosting (machine learning) ; Biomass (ecology) ; Decision tree ; Thermodynamics ; Chemistry ; Environmental science ; Pulp and paper industry ; Ecology ; Engineering ; Physics ; Computer science ; Organic chemistry ; Biology ; Data mining ; Catalysis ; Photocatalysis ; Machine learning Dye analysis and toxicity ; Adsorption and biosorption for pollutant removal ; Water Quality Monitoring and Analysis
Authors: Mohammad Ganje | Somayyeh Gharibi | Fatemeh Nejatpour | Maryam Deilamipour | Kimia Goshadehrou | Sahra Saberyan | Gholamreza Abdi
Source: Ultrasonics Sonochemistry (article, 2025-01-13)
Field: Chemistry — Analytical Chemistry

The ANFIS-RSM based multi-objective optimization and modelling of ultrasound-assisted extraction of polyphenols from jamun fruit (Syzygium cumini) Given their potential as natural substitutes for artificial additives and their health advantages, the extraction of bioactive substances like polyphenols from plant sources is becoming more and more significant. Nevertheless, it is still difficult to achieve effective extraction with minimal time and energy. In order to optimize polyphenol extraction from ripe jamun fruit pulp, including traditional and ultrasound-assisted methods, this study assessed the prediction power of response surface methodology (RSM) and adaptive neuro-fuzzy inference systems (ANFIS). It examined how temperature, process time, solvent type, and extraction method affected the yield of extracted polyphenols. Analysis of variance (ANOVA) indicated that solvent type (F-value = 292.15) was the most significant factor influencing polyphenol extraction. Numerical optimization identified optimal conditions for maximizing phenolic compound extraction: a process temperature of 45 °C, a duration of 65 min under ultrasound, using methanol as the solvent (desirability of 0.935 and a realization rate of 95 % of the maximum possible). Imposing minimum temperature and process time conditions will yield the same optimal process parameters as before, achieving 89 % of the maximum possible while significantly reducing the process time from 65 min to just 5 min (desirability 0.953). For each of the six process-solver conditions, optimal ANFIS models were determined by analyzing the number and type of input membership functions, the output membership function, and the selected optimization and defuzzification methods, based on the highest correlation between actual and predicted data, along with the lowest error rates. Statistical analysis confirmed the effectiveness of both RSM and ANFIS in modeling polyphenol extraction from ripe jamun fruit. Error indices demonstrated that ANFIS (R<sup>2</sup> = 0.8490-0.9989) outperformed RSM (R<sup>2</sup> = 0.9265) in predictive capability, underscoring the relative superiority of ANFIS. Syzygium ; Polyphenol ; Extraction (chemistry) ; Response surface methodology ; Chemistry ; Traditional medicine ; Chromatography ; Medicine ; Organic chemistry Spectroscopy and Chemometric Analyses ; Food Science and Nutritional Studies ; Essential Oils and Antimicrobial Activity
Authors: Sondes Kaddour | Randa Zaimia | Nouha Mastour | Saïd Ridene | Noureddine Raouafi
Source: Journal of Optics and Photonics Research (article, 2025-01-20)
Field: Materials Science — Materials Chemistry

Optical Transmission Enhancement of MoS&lt;sub&gt;2&lt;/sub&gt; Nanosheets Doped with Magnetic Materials Ni, Mn, and Cr In this work, we report both theoretical and experimental study of the influence of some materials with magnetic aspects such as Ni, Mn, or Cr in MoS2 photonic crystal structures. A functional density method technique has been introduced. Indeed, the results indicated that the transmission spectrum is considerably affected by the impact of doping from a photo shape and amplitude. Furthermore, appropriate doping has been shown to change the peak transmission shape of the MoS2 photonic crystal by splitting as an example. In fact, the transmission spectrum remains less identical with Ni and Mn doping and exhibits a doubling peak with Cr attributed to the first and second waveguide propagation modes. The obtained results can give a new degree of freedom in device application of MoS2 nanosheets such as photonic sensors, filter, and reflector. Finally, we can predict that the MoS2 photonic crystal doped with magnetic materials could be used in applications involving plasmonic Fano-resonances. Received: 29 July 2024 | Revised: 4 November 2024 | Accepted: 27 December 2024 Conflicts of Interest The authors declare that they have no conflicts of interest to this work. Data Availability Statement Data sharing is not applicable to this article as no new data were created or analyzed in this study. Author Contribution Statement Sondes Kaddour: Conceptualization, Formal analysis, Writing – original draft. Randa Zaimia: Formal analysis, Investigation. Nouha Mastour: Validation, Investigation. Said Ridene: Methodology, Writing – review &amp; editing, Supervision. Noureddine Raouafi: Resources. Materials science ; Doping ; Transmission (telecommunications) ; Chemical engineering ; Optoelectronics ; Computer science ; Telecommunications 2D Materials and Applications ; Chalcogenide Semiconductor Thin Films ; Gold and Silver Nanoparticles Synthesis and Applications
Authors: Qiang Li | Shiwang Yu | Zhancheng Li | Wenwei Liu | Hua Cheng | Shuqi Chen
Source: Nanophotonics (review, 2025-01-17)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Metasurface‐enhanced biomedical spectroscopy Enhancing the sensitivity of biomedical spectroscopy is crucial for advancing medical research and diagnostics. Metasurfaces have emerged as powerful platforms for enhancing the sensitivity of various biomedical spectral detection technologies. This capability arises from their unparalleled ability to improve interactions between light and matter through the localization and enhancement of light fields. In this article, we review representative approaches and recent advances in metasurface-enhanced biomedical spectroscopy. We provide a comprehensive discussion of various biomedical spectral detection technologies enhanced by metasurfaces, including infrared spectroscopy, Raman spectroscopy, fluorescence spectroscopy, and other spectral modalities. We demonstrate the advantages of metasurfaces in improving detection sensitivity, reducing detection limits, and achieving rapid biomolecule detection while discussing the challenges associated with the design, preparation, and stability of metasurfaces in biomedical detection procedures. Finally, we explore future development trends of metasurfaces for enhancing biological detection sensitivity and emphasize their wide-ranging applications. Spectroscopy ; Nanotechnology ; Biomolecule ; Sensitivity (control systems) ; Raman spectroscopy ; Materials science ; Computer science ; Optics ; Physics ; Electronic engineering ; Engineering Gold and Silver Nanoparticles Synthesis and Applications ; Spectroscopy Techniques in Biomedical and Chemical Research ; Advanced biosensing and bioanalysis techniques
Authors: Michelle Gracia Lay | Nur Alia Oktaviani | Ali D. Malay | Keiji Numata
Source: Polymer Journal (article, 2025-04-28)
Field: Materials Science — Biomaterials

Exploring the self-assembly of silk proteins through liquid-liquid phase separation Abstract Silk fibers have been used by humans for millennia to create textiles and have recently gained the attention of scientists due to their unsurpassed mechanical properties. These properties arise from a sophisticated process by which the starting material, a liquid feedstock consisting of high-molecular-weight silk proteins, is rapidly converted within silk glands into solid fibers with a multi-scale hierarchical structure that is responsible for the material’s incredible robustness. Recently, liquid-liquid phase separation (LLPS) has emerged as a powerful framework for understanding the self-assembly behavior of silk proteins. Interestingly, LLPS-associated proteins typically exhibit disordered or dynamic conformations and have sequences rich in low-complexity multivalent repeats, reminiscent of silk protein sequences. In this review, we explore the evidence indicating that LLPS is a major aspect of silk fiber storage and assembly in both lepidopteran and spider systems. We discuss insights derived from comparative analyses of amino acid sequences, specific chemical triggers, and potential chemical interactions and contextualize the results from recent empirical investigations based on native and recombinant silk materials. We also discuss how LLPS mechanisms might be applied to the sustainable production of silk-like materials that replicate native hierarchical structures. Finally, we outline important areas for future investigations and speculate on how findings from the field of silk research may help illuminate the more general field of biomolecular condensates. SILK ; Liquid liquid ; Liquid phase ; Chromatography ; Phase (matter) ; Chemistry ; Materials science ; Chemical engineering ; Polymer science ; Organic chemistry ; Composite material ; Engineering ; Physics ; Thermodynamics Silk-based biomaterials and applications ; RNA Research and Splicing ; Plant Reproductive Biology
Authors: Paul G. Waddell
Source: CrystEngComm (article, 2025-01-01)
Field: Chemistry — Inorganic Chemistry

A lot to unpack: a decade in high <i>Z</i>′ crystal structures Crystal structures that form with more than one molecule in the asymmetric unit ( Z ′ &gt; 1) are a fascinating and important, if overlooked, aspect of crystal engineering. Crystal (programming language) ; Materials science ; Crystallography ; Business ; Computer science ; Architectural engineering ; Engineering ; Chemistry ; Programming language Inorganic Chemistry and Materials
Authors: Tozivepi Aaron Munyayi | Anine Crous
Source: Cancers (review, 2025-01-09)
Field: Materials Science — Biomaterials

Advancing Cancer Drug Delivery with Nanoparticles: Challenges and Prospects in Mathematical Modeling for In Vivo and In Vitro Systems Mathematical models are crucial for predicting the behavior of drug conjugate nanoparticles and optimizing drug delivery systems in cancer therapy. These models simulate interactions among nanoparticle properties, tumor characteristics, and physiological conditions, including drug resistance and targeting specificity. However, they often rely on assumptions that may not accurately reflect in vivo conditions. In vitro studies, while useful, may not fully capture the complexities of the in vivo environment, leading to an overestimation of nanoparticle-based therapy effectiveness. Advancements in mathematical modeling, supported by preclinical data and artificial intelligence, are vital for refining nanoparticle-based therapies and improving their translation into effective clinical treatments. In vivo ; Drug delivery ; Drug ; Cancer ; Computer science ; Nanoparticle ; Nanotechnology ; Medicine ; Pharmacology ; Materials science ; Biotechnology ; Biology Nanoparticle-Based Drug Delivery ; Graphene and Nanomaterials Applications ; Field-Flow Fractionation Techniques