jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Siti Zubaidah Khamis | Abdul Rahim Othman | Mazli Mustapha | Mohd Azham Azmi
Source: Journal of King Saud University - Science (article, 2025-10-15)
Field: Materials Science — Polymers and Plastics

Potential of recycled polypropylene: Effect of <i>Gigantochloa scortechinii</i> fiber on the morphology and properties of eco-composite This study investigates the development and characterization of eco-composites based on recycled polypropylene (rPP) reinforced with Gigantochloa scortechinii fiber (GSF), a natural microfiber derived from bamboo. Composites containing 0 wt.%, 3 wt.%, and 6 wt.% GSF was prepared using a twin-screw extrusion process followed by injection molding. The thermal behavior of the composites was analyzed using thermogravimetric analysis (TGA), while crystallinity and chemical bonding were assessed via X-ray diffraction (XRD) and Fourier-transform infrared spectroscopy (FTIR), respectively. Mechanical properties were evaluated using flexural and impact tests. The results showed that incorporating 3 wt.% GSF improved flexural strength by 50.5%, increasing values from 31.39 MPa (pure rPP) to 47.23 MPa. Impact strength also reached a maximum of 7.07 J/m 2 at 3 wt.% GSF. These enhancements are attributed to improved fiber dispersion, alignment, and interfacial bonding within the rPP matrix. However, at 6 wt.% GSF, a slight reduction in flexural performance was observed due to fiber agglomeration. Overall, the findings demonstrate the potential of GSF-reinforced rPP as a sustainable alternative for green engineering applications in automotive, packaging, and construction materials. Flexural strength ; Thermogravimetric analysis ; Crystallinity ; Fiber ; Extrusion ; Polypropylene ; Natural fiber ; Izod impact strength test Natural Fiber Reinforced Composites ; biodegradable polymer synthesis and properties ; Microplastics and Plastic Pollution
Authors: Hassan Abdoul‐Carime | Janina Kopyra
Source: International Journal of Molecular Sciences (article, 2025-09-08)
Field: Chemistry — Spectroscopy

Activation of Specific Reagents in Molecular Films by Sub-Ionization Electrons: Chlorobenzene/Water Films Control over chemical reactivity remains a fundamental challenge in synthesis chemistry, where targeting a specific reactant represents the ultimate goal. While photoactivation is a well-established approach for selective excitation, electron-induced chemistry offers a complementary pathway with high efficacy. In this study, we investigate the effects of low-energy electron irradiation on prototypical chlorobenzene/water molecular films, demonstrating that chlorobenzene can be selectively dissociated via a resonant process occurring at ~1 eV. At higher electron energies (>6 eV), multiple reaction pathways become accessible, including the fragmentation of both water and chlorobenzene molecules. Our study provides a perspective strategy for achieving reagent-specific control in complex molecular assemblies via low-energy electrons, offering new insights into electron-driven surface chemistry and reaction dynamics at the molecular level. Chlorobenzene ; Reagent ; Reactivity (psychology) ; Molecular dynamics ; Molecule ; Chemical synthesis Mass Spectrometry Techniques and Applications ; Porphyrin and Phthalocyanine Chemistry ; Radioactive element chemistry and processing
Authors: Nikolaus Porenta | Luca Piazza | Ralph Spolenak
Source: ChemRxiv (preprint, 2025-05-16)
Field: Materials Science — Materials Chemistry

Electrohydrodynamic Redox Printing vs. Physical Vapour Deposition: A Comparative Study of Nanoporous Ag Morphology and SERS Performance The increasing demand for miniaturised, high-performance sensing platforms necessitates materials that can be deposited with high spatial precision. Surface-enhanced Raman spectroscopy (SERS) has emerged as a powerful analytical technique, offering significant signal amplification. Nanoporous (np) metals, particularly np Ag, are promising candidates for SERS substrates due to their high surface area and tunable nanostructure. In this study, we compare np Ag fabricated via electrohydrodynamic redox printing (EHD-RP), an additive manufacturing technique with high spatial resolution, to conventionally produced counterparts using physical vapour deposition (PVD). EHD-RP-derived np Ag exhibits comparable SERS performance to PVD samples. Structural analysis reveals that the density of sub-25 nm pores and the degree of structural disorder strongly contribute to enhancement factors. Additionally, EHD-RP-derived np Ag demonstrates excellent stability under varying illumination conditions and effectively catalyses the plasmon-driven dimerisation of 4-nitrobenzenethiol. These results underscore the potential of EHD-RP for fabricating functional nanostructured materials for integrated sensing applications. Electrohydrodynamics ; Nanoporous ; Morphology (biology) ; Nanotechnology ; Materials science ; Deposition (geology) ; Redox ; Chemical engineering ; Chemistry ; Engineering ; Electrode ; Physical chemistry ; Metallurgy ; Geology Nanoporous metals and alloys ; Electrodeposition and Electroless Coatings ; Anodic Oxide Films and Nanostructures
Authors: Francisca Ogechukwu Oshim | Veronica N. Nwobasi | C. J. Nwali
Source: International Journal of Latest Technology in Engineering Management & Applied Science (article, 2025-11-22)
Field: Materials Science — Materials Chemistry

Empirical Modelling and Optimization of Zinc Chloride Activated Ngbo Clay Catalysts Using Response Surface Methodology Abstract: In this study, Box-Behnken’s Response Surface Methodology (RSM) was applied to study the esterification reaction effectiveness of zinc chloride activated Ngbo clay catalyst. The XRF result showed that both raw and activated clay contain contaminations of oxides and other impurities; however, the clay mineral compositions are not significantly affected by zinc chloride treatments. Additionally, it indicates a high content of silicon and aluminium oxides compared to other oxides.XRD pattern results showed several characteristic peaks due to the mineral compositions present. The analysis of the peaks showed sharp peaks with low intensity at 2θ = 11.300, which corresponds to the main peak used in the identification of kaolinite clay, as reported in the literature.The esterification was monitored based on the process conditions of temperature, time duration, amount of reactant, catalyst weight and particle size. The Box -Behnken’s Response Surface Methodology indicates that the zinc chloride clay-catalysed esterification reactions proceed through dual mechanisms: an Acid-complex and an Alcohol-complex mechanism, with the Alcohol mechanism dominating. The esterification efficiencies of acetic acid and ethanol by zinc chloride activated Ngbo clay catalyst, optimized using RSM models indicated the estimated esterification percentage of ˃95%. The predicted and experimental values obtained under the same conditions showed a difference of less than 5%, indicating that the Box-Behnken design approach is an efficient, effective, and reliable method for the esterification of acetic acid with ethanol. The produced catalyst was optimized using A-One way ANOVA modelling, which indicated a correlation coefficient of the regression of 0.9551, which implies that 95.51% of the total variation in the esterification reaction was attributed to the experimental variables. The result obtained indicated that the process could be applied in the esterification of acetic acid to avoid the drawbacks of corrosion, loss of catalyst and environmental problems. Zinc ; Response surface methodology ; Catalysis ; Acetic acid ; Chloride ; Aluminium ; Particle size ; Raw material Thermal and Kinetic Analysis ; Chemical and Environmental Engineering Research ; Biodiesel Production and Applications
Authors: Andrei A. Gismatulin | В. А. Пустоваров | Danila S. Odintsov | I. A. Os’kina | Inna K. Shundrina | I. A. Azarov | Leonid A. Shundrin | V. A. Gritsenko
Source: Physics of Complex Systems (article, 2025-01-01)
Field: Materials Science — Materials Chemistry

Charge transport mechanism and memristive effect in a thin film based on fluorinated polyaryl ether containing 1,4-dioxo-thioxanthene-9-one in-chain blocks A new fluorinated thermally stable polyaryl ether with electron-withdrawing thioxanthenone in-chain block (FPAE-ThS) was synthesized through the interaction of perfluorobiphenyl with 1,4-dihydroxy-9H-thioxanthene-9-one. The charge transport mechanism within the FPAE-ThS film is governed by the phonon-assisted tunneling between neighbouring traps. The thermal (1.0 eV) and optical trap (2.0 eV) ionization energies, as well as the trap concentration (N = 1.0 × 1020 cm–3), are determined. The value of half Stokes shift (1.1 eV), obtained from the photoluminescence and photoluminescence excitation spectra, is consistent with the results of charge transport simulation. Furthermore, a prototype memory device based on the FPAE-ThS film demonstrates the resistive switching behavior with a four-order difference in the resistance between its low- and high-resistance states. Charge (physics) ; Ether ; Mechanism (biology) ; Chain (unit) ; Materials science ; Chemical physics ; Chemistry ; Polymer chemistry ; Organic chemistry ; Physics Photochromic and Fluorescence Chemistry ; Conducting polymers and applications ; Photoreceptor and optogenetics research
Authors: Yuewei Sun
Source: Applied and Computational Engineering (article, 2025-05-06)
Field: Materials Science — Materials Chemistry

Overview of Diamond Semiconductor Development and Research Directions With the advancement of science and technology, traditional semiconductor materials can no longer meet the high frequency and high power demand. Diamond semiconductor has gradually become a research hotspot because of its excellent physical properties, such as high hardness and wide forbidden band. Through the literature review method, this paper discusses the crystal structure and physical properties of diamond semiconductor, such as high hardness, high thermal conductivity, wide bandwidth and other advantages. This paper also describes its preparation methods, including high temperature and high pressure synthesis and chemical vapor deposition, and discusses the current status of the application in the field of power electronics, optoelectronics, etc. The results reveal that the challenges faced by the doping process are complex, with high costs being a significant issue. However, with the development of technology and process optimization, diamond semiconductor is expected to become a hot spot in the research of high-frequency power. Diamond ; Semiconductor ; Engineering physics ; Research development ; Materials science ; Nanotechnology ; Engineering ethics ; Engineering ; Optoelectronics ; Geology ; Metallurgy Diamond and Carbon-based Materials Research
Authors: Tatiana Otroshchenko | Aleksandr Fedorov | Qiyang Zhang | David Linke | Jarosław Handzlik | Mirjam Schröder | Björn Corzilius | Evgenii V. Kondratenko
Source: Chemical Science (article, 2025-01-01)
Field: Chemistry — Organic Chemistry

Time-resolved and theoretical analysis of Mo-carbene transformations in metathesis of ethylene with 2-butene Although supported Mo-containing catalysts have been extensively investigated in the metathesis of ethylene with 2-butene to propene, the mechanisms of the formation and transformation of catalytically active Mo-carbenes in the course of the reaction are still not fully understood. The difficulties arise because only a tiny fraction of MoO <sub><i>x</i></sub> species can form Mo-carbenes <i>in situ</i>, making the detection of the latter by spectroscopic means very unlikely. Herein, purposefully designed steady-state and transient experiments including their kinetic evaluation and density functional theory calculations enabled us to elucidate mechanistic and kinetic details of the above reaction-induced processes in the metathesis reaction over a Mo/P/SiO<sub>2</sub> catalyst at 50 °C. We established that, in parallel with the desired reaction cycle, molybdacyclobutanes also undergo reversible structural transformations which might be one of the reasons for low steady-state catalyst activity. Based on the results obtained, strategies for controlling the concentration of the inactive species and accordingly catalyst activity have been suggested and experimentally validated. Ethylene ; Metathesis ; 2-Butene ; 1-Butene ; Olefin metathesis ; Chemistry ; Butene ; Organic chemistry ; Catalysis ; Polymerization Synthetic Organic Chemistry Methods ; Organometallic Complex Synthesis and Catalysis ; Catalysis and Hydrodesulfurization Studies
Authors: Şeyda Aydoğdu
Source: Kahramanmaraş Sütçü İmam Üniversitesi Mühendislik Bilimleri Dergisi (article, 2025-09-03)
Field: Materials Science — Materials Chemistry

INVESTIGATION OF FORMALDEHYDE ADSORPTION ON B12N12, B6N6C12, B12N6C6, AND C24 NANOCAGES: DENSITY FUNCTIONAL THEORY CALCULATIONS In the last years monitoring of air pollutants become more important. Formaldehyde is one of these pollutants. It has been used in lots of purposes, but its toxic nature necessitates sensing and removing it from environment. In this work capture and/or sensing capabilities of B12N12, B6N6C12, B12N6C6, and C24 nanocages for formaldehyde are investigated. The calculations are conducted at the M06-2x/6-311g(d,p) level of Density Functional Theory. The structure and electronic properties of nanocages before and after formaldehyde adsorption, the adsorption energies are investigated and analyzed in detail. The changing of electronic properties and reactivity of nanocages are discussed. Hence, active regions of the nanocage are determined for increasing numbers of formaldehyde molecules. The results indicate that possibility of using B12N6C6 nanocage to sense formaldehyde in the environment. Nanocages ; Formaldehyde ; Density functional theory ; Adsorption ; Reactivity (psychology) ; Electronic structure Boron and Carbon Nanomaterials Research ; Fullerene Chemistry and Applications ; Energetic Materials and Combustion
Authors: Angel Canales-Gutiérrez | Francely Mullisaca-Torres | Gelvi Peali-Maro Canales Manchuria
Source: Ambiente e Agua - An Interdisciplinary Journal of Applied Science (article, 2025-10-14)
Field: Materials Science — Materials Chemistry

Systematic review of green nanotechnology in the Andes: nanoparticle biosynthesis and applications from Chara globularis Chara globularis, a submerged macroalga widely distributed in the smaller Lake of Titicaca, covers approximately 436 km² over 60% of the vegetated lakebed—forming dense underwater meadows between 5 and 10 meters deep. Its ecological relevance lies in its ability to precipitate calcium carbonate and co-precipitate phosphorus, improving water clarity and modulating nutrient cycling in high-altitude oligotrophic environments. Beyond its ecosystem functions, C. globularis has emerged as a promising bioresource for the green synthesis of metal nanoparticles, offering a sustainable and low-cost alternative to conventional methods. Phytochemical-rich extracts from C. globularis are used to synthesize copper, silver, and gold nanoparticles, with visual colour changes indicating nanoparticle synthesis brown for copper nanoparticles (CuNPs), reddish-brown for silver nanoparticles (AgNPs), and ruby-pink for gold nanoparticles (AuNPs). These biogenic nanoparticles exhibited high stability and functional surface groups, as confirmed by Fourier Transform Infrared Spectroscopy (FTIR), Dynamic Light Scattering (DLS), and X-ray Diffraction (XRD) analyses. Their nanoscale size (typically 10–80 nm) and biocompatibility make them suitable for diverse applications in biomedicine (antimicrobial and anticancer therapy), agriculture (nanofertilizers and pest control), and environmental remediation (wastewater treatment and heavy metal removal). This study underscores the dual value of C. globularis as both a keystone species in Andean aquatic ecosystems and a platform for eco-innovative nanotechnology. The successful integration of native biodiversity with advanced material science not only promotes clean technology but also repositions C. globularis as a strategic natural resource for the sustainable development of high-altitude regions like Lake Titicaca. Keywords: green synthesis, macroalga, macrophyte, nanostructures. Green chemistry ; Nanoparticle ; Nanocellulose ; Biocompatibility ; Nanobiotechnology Nanoparticles: synthesis and applications
Authors: Fanlei Qin | Yujie Chen | Zhangyi Tian | Ange Zhu | Xueji Zhang | Wasfa Zulfiqar | Denghao Li | Yang Zhang | Gongxun Bai
Source: Rare Metals (article, 2025-12-24)
Field: Materials Science — Materials Chemistry

Dual‐Rare‐Earth‐Doped Piezoelectric Semiconductor Gallate Solids With Spectral Tuning for Energy Conversion and Photonic Applications ABSTRACT Mechanoluminescent materials have gained significant attention for their unique capability to convert mechanical stimuli into light without external optical or electrical excitation, holding immense promise for applications in safety monitoring, biomedicine, optical anti‐counterfeiting, and intelligent sensing. However, current mechanoluminescent materials are hindered by limitations such as a single functional mode, a restricted emission color gamut, and poor stability. To address these challenges, we report a layered piezoelectric semiconductor, (Sr, Ca)Ga 4 O 7 host doped with dual rare‐earth activators Tb 3+ and Eu 3+ , which enables unprecedented multimodal luminescence responsiveness to mechanical force, UV light, X‐rays, and temperature within a single crystalline framework. By precisely tuning the Tb 3+ /Eu 3+ doping ratio, the material achieves continuously adjustable photoluminescence, mechanoluminescence, and X‐ray‐excited photoluminescence spectra across the green‐to‐red color gamut. Notably, the material demonstrates an ultralow mechanoluminescence activation threshold (≤ 10 kPa) and exhibits millisecond‐level response kinetics. A series of potential applications, including digital information encryption, high‐precision handwriting identification, modern motion analysis, and imaging detection, are designed based on its multimodal luminescence. This work establishes a paradigm for designing multifunctional luminescent materials through piezoelectric‐semiconductor‐rare‐earth synergy. Mechanoluminescence ; Piezoelectricity ; Photonics ; Photoluminescence ; Luminescence ; Doping ; Semiconductor ; Phosphor Luminescence Properties of Advanced Materials ; Advanced Sensor and Energy Harvesting Materials ; Luminescence and Fluorescent Materials
Authors: Elif Işıkçı Koca | Orkun Pinar | Özlem Yalçın Çapan | Gökhan Çaylı | Dilek Kazan | Pınar Çakir Hatir
Source: Sakarya University Journal of Science (article, 2025-10-21)
Field: Materials Science — Biomaterials

Eco-friendly Bacterial Cellulose/Castor Oil Hydrogels: Physicochemical Behavior and Biocompatibility In the present work, novel thermoresponsive hydrogels were developed from renewable resources, and the influence of bacterial cellulose molar ratio on their chemical structure, thermal properties, swelling behavior, morphology, and biocompatibility was systematically investigated. The hydrogels were fabricated using castor oil, 4,4'-diphenylmethane diisocyanate, bacterial cellulose, N-isopropylacrylamide, and N,N'-Methylenebisacrylamide. Structural and physicochemical characterizations were performed by Fourier-transform infrared spectroscopy, scanning electron microscopy, differential scanning calorimetry, and thermogravimetric analysis. The highest equilibrated swelling degree was achieved as 592.6% at the maximum bacterial cellulose content. SEM images revealed that the formation of spongy architecture is caused by the increase in the bacterial cellulose content. In vitro biocompatibility studies revealed that the hydrogel with the highest bacterial cellulose content exhibited the greatest cytocompatibility, with an IC50 value of 11.16 mg/ml. Overall, the findings demonstrate the successful fabrication of a novel bio-based thermoresponsive hydrogel through an eco-friendly approach, highlighting its potential for diverse biomedical applications. Biocompatibility ; Bacterial cellulose ; Swelling ; Self-healing hydrogels ; Thermogravimetric analysis ; Cellulose ; Scanning electron microscope Advanced Cellulose Research Studies ; Hydrogels: synthesis, properties, applications ; Electrohydrodynamics and Fluid Dynamics
Authors: Ziyi Chang | Qiang Fu | Mengke Wang | Demin Duan
Source: Preprints.org (preprint, 2025-05-06)
Field: Materials Science — Materials Chemistry

Nanozyme-Driven Innovations in Point-of-Care Testing: Multimodal Sensing Strategies, Clinical Applications, and Translational Challenges Point-of-care testing (POCT) has garnered widespread attention due to its rapid, convenient, and efficient detection capabilities, particularly playing an increasingly pivotal role in medical diagnostics and significantly improving the efficiency and quality of healthcare services. Nanozymes, as novel enzyme-mimicking materials, have emerged as a research hotspot owing to their superior catalytic performance, low cost, and robust stability. This review provides a systematic overview of the fundamental characteristics and classifications of nanozymes, along with various sensing strategies employed in POCT applications, colorimetric, electrochemical, fluorescent, chemiluminescent, and surface-enhanced Raman scattering (SERS)-based approaches. Furthermore, the review highlights innovative designs that enhance the sensitivity and accuracy of POCT across multiple domains, such as biomarker detection, environmental monitoring, and food safety analysis, thereby offering novel perspectives for the practical implementation of nanozymes in point-of-care diagnostics. Finally, the review analyzes current challenges in nanozyme-based POCT systems, including limitations in optimizing catalytic activity, ensuring nanozyme homogeneity, and achieving large-scale production, while proposing future development trajectories. Point-of-care testing ; Translational research ; Computer science ; Point of care ; Point (geometry) ; Risk analysis (engineering) ; Medicine ; Intensive care medicine ; Nursing ; Pathology ; Mathematics Advanced Nanomaterials in Catalysis ; Nanoplatforms for cancer theranostics ; Electrochemical sensors and biosensors