jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Mustapha Alahiane | Oussama Ouerghi | Yassine Riadi | Avni Berisha | Abdulaziz A. Alanazi | Talal Aljohani | Noureddine Lazar | Mohammed H. Geesi
Source: Arabian Journal of Chemistry (article, 2026-04-06)
Field: Materials Science — Materials Chemistry

Expired dopamine as an ecofriendly corrosion inhibitor for 316L stainless steel in 0.5 M HCl: Experimental and theoretical studies In the present paper, a novel approach has been made to valorise the redundant medicinal drug, dopamine (DA), to operate as a corrosion inhibitor for 316L stainless steel in 0.5 M HCl. Electrochemical analysis by electrochemical impedance spectroscopy (EIS) and potentiodynamic polarization (PDP) indicates that very high and effective inhibition by phenolic compound insertions is reported: at 10 -3 , Rct (charge transfer resistance) increases, Cdl (double layer capacitance) decreases by serious mode, and τ increases, yielding optimum efficiencies IE(EIS)=94.6% and inhibition efficiency percentage (IEPDP)≈92.6%. The adsorption obeys’ Langmuir model, having ΔG ads ≈− 40 kJ·mol −1 , suggesting that a mixture of physisorption/chemisorption. Scanning electron microscopy (SEM)/X-ray photoelectron spectroscopy (XPS) analysis proves the mechanism of the formation of a protecting organic film strongly attached to the passive layer (Ni(OH) 2 , Fe 2 O 3 , Cr(III), MoO 2 and the influence of nitrogen from DA (N 1s). Density functional theory (DFT)/conductor-like screening model (COSMO) calculations present that highest occupied molecular orbitals (HOMOs)/lowest unoccupied molecular orbitals (LUMOs) are localized on O and N, and there are extraordinary negatively Mulliken charges on O/N, indicating that they are adsorption centers. The density-functional tight-binding (DFTB +++ ) charge density difference maps were flexed to an essentially planar conformation, and display π–d donor-acceptor interactions with π–dd hybridization. Lastly, the Monte Carlo/molecular dynamics (MC/MD) simulations provide highly negative adsorption energies (≈−125 to −147 kcal•mol−1) and radial distribution function (RDF) peaks &lt; 3.5 Å for O/N–Fe, indicating chemisorption. All in all, it shows that DA out of date is a green, highly effective and inexpensive inhibitor, paving the way for valorization of pharmaceutical waste. Adsorption ; Dielectric spectroscopy ; Density functional theory ; Corrosion inhibitor ; Electrochemistry ; Corrosion ; Molecular orbital ; X-ray photoelectron spectroscopy ; Mulliken population analysis Corrosion Behavior and Inhibition ; Hydrogen embrittlement and corrosion behaviors in metals ; Electrodeposition and Electroless Coatings
Authors: Ricarda Torre | Luis Pinto da SIlva
Source: Sensors (article, 2026-04-11)
Field: Materials Science — Materials Chemistry

Advances in Carbon Dot-Based Optical (Bio)Sensors for Contaminant Detection in Wastewater-Based Epidemiology Wastewater-based epidemiology (WBE) has emerged as a powerful approach for population-level monitoring of chemical exposure, health status, and disease transmission by analysing wastewater. Although chromatographic and molecular techniques remain the gold standard in WBE, their high cost, infrastructural demands, and limited suitability for decentralized and real-time monitoring motivate the development of complementary sensing technologies. In this context, optical (bio)sensors, particularly fluorescence-based platforms, have attracted increasing attention due to their high sensitivity, rapid response, and potential for on-site monitoring. This review discusses recent advances in fluorescent optical (bio)sensors for WBE, with a particular focus on carbon dots (CDs), including waste- and biomass-derived CDs produced via green synthesis as well as CDs obtained from commercial chemicals. The applicability of CD-based sensors to wastewater-relevant analytes is evaluated, highlighting current achievements, as well as existing limitations and challenges related to real-sample validation and the translation of these platforms into robust, field-deployable systems for their implementation in sustainable wastewater monitoring and public health surveillance. Carbon fibers ; Public health ; Optical sensing ; Environmental monitoring ; Transmission (telecommunications) ; Human health Carbon and Quantum Dots Applications ; Advanced Nanomaterials in Catalysis ; Electrochemical sensors and biosensors
Authors: Abdelazim M. Mebed | Ali H. Mohsen | Diyar J. Hassan | Nadia A. Ali | Seenaa I. Hussein | Farah T. M. Noori | Alaa M. Abd-Elnaiem | Alhafez M. Alraih | R.F. Abdelbaki
Source: Polymers (article, 2026-02-05)
Field: Materials Science — Polymers and Plastics

A Flexible, Antibacterial Platform: Silver-Tuned Polyvinyl Alcohol with Enhanced Opto-Mechanical and Electrical Properties Silver/polyvinyl alcohol (Ag/PVA) nanocomposite films were synthesized via solution casting with varying concentrations of Ag nanoparticles (1-5 wt%). A comprehensive investigation was conducted to understand the influence of Ag content on the structural, optical, mechanical, thermal, electrical, and antibacterial properties of the composites. UV-Vis spectroscopy revealed a red shift in absorption peaks and a reduction in the optical band gap, which decreased from 3.78 eV for pure PVA to 3.37 eV for the 5 wt% Ag composite. FTIR and SEM analyses confirmed successful nanoparticle incorporation and morphological changes. The nanocomposites exhibited enhanced tensile strength, elongation at break, Young's modulus, and hardness due to strong interfacial interactions. The addition of Ag also increased hydrophobicity and imparted effective antibacterial activity. The electrical and thermal properties showed significant improvement: AC conductivity increased from 5.8 × 10<sup>-9</sup> to 1.01 × 10<sup>-4</sup> S/cm with Ag content, while the dielectric constant decreased. A high DC conductivity of 1.5 × 10<sup>5</sup> S/cm was achieved with only 3 wt% Ag. Thermal conductivity also rose from 0.27 W/m·K for pure PVA to 0.92 W/m·K for the 5 wt% composite. These results demonstrate that Ag/PVA nanocomposites are promising multifunctional materials for flexible electronics, combining tunable optoelectronic properties with enhanced mechanical, thermal, and antibacterial performance. Polyvinyl alcohol ; Nanocomposite ; Fourier transform infrared spectroscopy ; Casting ; Dielectric ; Ultimate tensile strength ; Vinyl alcohol ; Antibacterial activity ; Elongation Polymer Nanocomposite Synthesis and Irradiation ; Nanocomposite Films for Food Packaging ; Nanomaterials and Printing Technologies
Authors: TaeGyeong Lim | Shin Joon Kang | Hyung Mo Jeong | Ji Won Suk
Source: Advanced Fiber Materials (article, 2026-02-12)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Tailoring 3D Carbon Nanofiber Architectures for Enhanced Li+/PF6− Storage in Dual-Carbon Electrodes of High-Performance Lithium-Ion Capacitors Abstract Lithium-ion capacitors (LICs) are promising energy storage devices that combine the high energy density of lithium-ion batteries and the outstanding power density of supercapacitors. In this study, a dual-carbon LIC utilizing etched vertical graphene-grown carbon nanofibers (eVG@CNFs) as anode and etched hollow carbon nanofibers (ehCNFs) as cathode was presented. The eVG@CNFs feature mesoporous surfaces integrated with vertically aligned graphene sheets, enabling efficient Li + insertion, diffusion, and adsorption for excellent capacity and rate performance. The ehCNFs, derived by carbonization of polymeric core–shell nanofibers, possess hollow nanochannels and an ultrahigh specific surface area of 2884.4 m 2 g −1 with favorable porosity for PF 6 ⁻ adsorption. The eVG@CNF//ehCNF LIC operates over a wide operating voltage of 0.8–4.0 V and delivers a specific cell capacity of 47.9 mAh g −1 at 30 A g −1 . The hybrid dual-carbon LIC achieves a maximum energy density of 268.5 Wh kg −1 and maintains 115.0 Wh kg −1 even at an ultrahigh power density of 72 kW kg −1 . Moreover, it shows great cycling stability, retaining over 84.4% capacitance after 12000 charge–discharge cycles. This work highlights the potential of tailored CNF architectures for high-performance energy storage applications. Anode ; Cathode ; Carbon nanofiber ; Graphene ; Energy storage ; Capacitor ; Power density ; Carbonization ; Electrode Supercapacitor Materials and Fabrication ; Advancements in Battery Materials ; Fiber-reinforced polymer composites
Authors: Himali Upadhyay | Uma Harikrishnan | Devanshi Bhatt | Kapil Kumar | Manthan Panchal | Pooja Trivedi | Gaurang Sindhav | Bhumi Patel | Chirag N. Patel | Krunal Modi
Source: Discover Molecules (article, 2026-01-20)
Field: Materials Science — Materials Chemistry

Selective detection of 2, 4-DNT using sulfonyl chloride-appended oxacalix[4]arene: synthesis, spectroscopic analysis and biological evaluation The rapid and selective detection of nitroaromatic explosives such as 2,4-dinitrotoluene (2,4-DNT) remains a persistent analytical challenge. In this study, we report a novel sulfonyl chloride–substituted oxacalixarene (DCOC) that exhibits enhanced electron-withdrawing and charge-transfer capabilities, enabling highly selective fluorescence sensing of 2,4-DNT. The DCOC receptor displayed a pronounced fluorescence quenching response exclusively toward 2,4-DNT, with negligible interference from other nitroaromatic compounds, and achieved a low detection limit of 5 µM. Computational studies, including DFT and molecular docking analyses, revealed that π–π stacking and charge-transfer interactions dominate the DCOC–DNT binding mechanism, while molecular dynamics simulations confirmed its structural stability. Cytotoxicity evaluation (IC₅₀ = 417.76 ± 1.77 µM) indicated low toxicity, underscoring the receptor’s biocompatibility. These results demonstrate that sulfonyl chloride functionalization significantly improves oxacalixarene sensing performance, establishing DCOC as a sensitive, selective, and environmentally safe supramolecular probe for potential on-site detection of nitroaromatic explosives. Sulfonyl ; Stacking ; Fluorescence ; Detection limit ; Quenching (fluorescence) ; Supramolecular chemistry ; Selectivity ; Cytotoxicity ; Molecular probe Luminescence and Fluorescent Materials ; Supramolecular Chemistry and Complexes ; Molecular Sensors and Ion Detection
Authors: Kheira Bennaceur | N. Hamani | Abdallah Attaf | N. Lehraki | Ouanassa Haif Khaif | M. Nouadji | Brahim Gasmi
Source: Digest Journal of Nanomaterials and Biostructures (article, 2026-03-24)
Field: Materials Science — Materials Chemistry

Structural, Optical, and Electrical Properties of Cu- and Br-doped In2O3 Thin Films Prepared by Ultrasonic Spray Pyrolysis This study investigates the influence of cation (Cu2+) and anion (Br-) doping on the physical properties of indium oxide thin films to evaluate their potential for transparent conductive oxide (TCO) applications. Undoped, Cu2+-doped, and Br--doped indium oxide thin films were grown on glass substrates (sample size: 1.25 cm × 1 cm) using the ultrasonic spray pyrolysis technique, and their structural, optical, and electrical characteristics were investigated using X-ray diffraction (XRD), ultraviolet-visible spectroscopy (UV-Vis), and the four-point probe technique. XRD revealed that Cu2+ doping reduced the average crystallite size, whereas Br- doping had little effect. Optical characterization indicated that Br doping enhanced their transmittance to 85%, with a slight widening of the bandgap from 3.69 to 3.73 eV, while Cu2+ narrowed it to 3.66 eV. Electrical measurements revealed that Br- incorporation reduced resistivity and yielded a superior figure of merit. The study concludes that bromine doping significantly improves the optoelectronic performance of In2O3 films compared to copper doping, suggesting that Br-doped films are promising candidates for high-performance transparent conductive electrode applications. Indium ; Thin film ; Doping ; Crystallite ; Electrical resistivity and conductivity ; Band gap ; Oxide ; Transmittance ZnO doping and properties ; Copper-based nanomaterials and applications ; Chalcogenide Semiconductor Thin Films
Authors: Monika Saini | Sonam Kumari | Neelam Singh Sangwan
Source: Science and Technology Nexus (article, 2026-04-04)
Field: Materials Science — Materials Chemistry

Green-Synthesised Gold Nanoparticles: A Sustainable Technological Platform for Cancer Theranostics and Biomedical Innovation This review article focuses on the biological synthesis, characterisations and mechanism of action of gold nanoparticles (AuNPs) as an anticancer agent. The article explores various aspects, such as reactive oxygen species, cytotoxicity, and targeted delivery. Several research reports illustrate that green-synthesised AuNPs act as a reducing and stabilising agent. Biosynthesised AuNPs were characterised by various techniques like UV–Vis spectroscopy, SEM, TEM, and FTIR to determine attributes of nanoparticles. Cytotoxicity and anticancer activity were evaluated against cancer cell lines. This article summarises several research reports where AuNPs showed lower toxicity towards normal cell lines than cancer cells via ROS, disruption in physiological and metabolic processes, and apoptosis. AuNPs provide a versatile and efficient approach for cancer due to their ability to target specific sites and biocompatibility. Nanotechnology, by using green synthesis of AuNPs, holds promise for creating advanced and personalised treatment against cancer in the future. Cancer ; Cancer cell ; Colloidal gold ; Cytotoxicity ; Cancer treatment ; Mechanism (biology) ; Cancer therapy Nanoparticles: synthesis and applications ; Cancer Research and Treatment ; Nanoplatforms for cancer theranostics
Authors: Chandradip Kumar Yadav | Jasana Maharjan | Benadict Rakesh | Brahamdeo Yadav | Ajaya Bhattarai | Ramesh L. Gardas | Dileep Kumar
Source: Royal Society Open Science (article, 2026-01-28)
Field: Materials Science — Materials Chemistry

Effectiveness of sodium dodecyl sulfate for mild steel surface in an acidic medium: energy dispersive X-ray and field emission scanning electron microscopy techniques Abstract Mild steel (MS) metal with a wide range of engineering applications in construction as well as infrastructure is often prone to corrosion in acidic environments. In the present study, the inhibitory behavior of sodium dodecyl sulfate (SDS), a surfactant with large organic moiety and sulfur as a heteroatom, towards corrosion of MS was investigated. The inhibited MS samples were prepared by immersing them in 0.01 M SDS solution in 0.5 M sulfuric acid for 9 h at room temperature. Similarly, energy dispersive X-ray (EDX) and field emission scanning electron microscopy (FESEM) techniques were used for the surface characterization. The FESEM analysis revealed a more uniform and smooth surface with a few pits and cracks in the presence of SDS, indicating the formation of a protective film on the MS surface. The presence of an intense high peak of carbon, oxygen and sulfur in the EDX spectra confirmed the adsorption of the SDS molecule on the metal surface. The increased weight composition of elements further supported the adsorption of SDS on the metal surface. These findings confirm SDS as an effective corrosion inhibitor for MS by formation of a protective layer against corrosive environment. Sulfuric acid ; Adsorption ; Sodium dodecyl sulfate ; Corrosion ; Scanning electron microscope ; Pulmonary surfactant ; Metal ; Sulfur Corrosion Behavior and Inhibition ; Concrete Corrosion and Durability ; Hydrogen embrittlement and corrosion behaviors in metals
Authors: Doina Dimonie | Silvia Mathe | Roxana Doina Trușca | Celina Maria Damian | Ştefan Dumitru | Florin Oancea
Source: Journal of Composites Science (article, 2026-02-09)
Field: Materials Science — Biomaterials

Controlling the Thermodynamic Stability of Melt-Compounded PLA as Opportunity to Achieve 3D Printing Automotive Items with Medium Lifetime In view of the future estimation of the life-time of 3D printed automotive components, this paper evaluates the thermodynamic stability of controlled-nucleated poly (lactic acid) (PLA), focusing on formulations that maintain good mechanical behavior after 4 years of storage under controlled conditions. PLA with 0.5% D-lactide and low molecular weight, which has optimal melt flow at 3D printing, was nucleated using either a sulfonic acid derivative (heterogeneous nucleation) or a PLA grade with 4% D-lactide (stereocomplex or racemic nucleation). Since the earliest signs of thermodynamic instability manifest as changes in chemical structure, which alters thermal behavior, this study focuses on FTIR, DSC analysis and some functional properties such as impact resistance and heat deflection temperature (HDT). The initial properties were compared with those measured 4 years later. Due to heterogeneous nucleation, the bi-modal melting of neat PLA turned into a mono-modal peak, which remained stable over 4 years. Initially, the mono-modal melting of racemic nucleated PLA transitioned into a bi-modal pattern over time, proving its long-term thermodynamic instability. Because 3D printing requires mono-modal melting, it was concluded that racemic crystallization is unsuitable for the used PLA modification with respect to future 3D printing of medium-life automotive components. Crystallinity shapes long-term mechanical performance; therefore, the process must be conducted under selected conditions. Chemical stability ; Crystallization ; 3D printing ; Automotive industry ; Thermal stability ; Crystallinity ; Latent heat ; Melting temperature ; Thermal biodegradable polymer synthesis and properties ; Additive Manufacturing and 3D Printing Technologies ; Polymer crystallization and properties
Authors: Ivan A. Shuklov | Vladimir Lim | Alexander Yu. Shalagin | Alexandra V. Seraja | Olesja V. Vershinina | G. M. Zirnik | Д.А. Винник | Victor V. Ivanov
Source: Frontiers in Nanotechnology (article, 2026-02-03)
Field: Materials Science — Materials Chemistry

Synthesis of eco-friendly ternary sulfide nanocrystals using a new sulfur–decene reagent in hydrocarbons A new, highly reactive sulfur precursor was synthesized by dissolving elemental sulfur in 1-decene at an elevated temperature of 170 °C in a pressure tube, enabling the preparation of semiconductor sulfide nanocrystals (NCs) with diverse compositions and morphologies. By application of this new reagent, we demonstrated the preparation of eco-friendly ternary sulfide ABS 2 NCs (A = Cu and Ag; B = Ga and In). The chemical composition of this sulfur reagent was analyzed by spectroscopic methods, and reactive species were revealed. The dependence of the morphology, size, and optical properties of CuInS 2 NCs on the applied reagents and solvents was studied in detail. Hexadecane was identified as the solvent providing the narrowest distribution among hydrocarbons. Ag 9 GaS 6 colloidal NCs were obtained for the first time by applying the new sulfur precursor and were fully characterized. All nanoparticles were characterized by optical spectroscopy, XRD, TEM, EDX, XPS, Raman spectroscopy, and IR. Detailed Fourier-transform infrared (FT-IR) analysis of ABS 2 NCs revealed the mixed nature of the ligand shell. Reagent ; Sulfur ; Lead sulfide ; Ternary operation ; Sulfide ; Nanocrystal ; Nanoparticle ; Raman spectroscopy Quantum Dots Synthesis And Properties ; Chalcogenide Semiconductor Thin Films ; Synthesis and properties of polymers
Authors: Wenyue Qing | Hao F. Zhang
Source: Chemical Science (article, 2026-01-01)
Field: Materials Science — Materials Chemistry

Photocrosslinking chemistry for direct photopatterning of colloidal nanocrystals: toward pixelated light emitting diodes and beyond Colloidal quantum dots (QDs) exhibit outstanding optoelectronic properties and solution processability, making them promising candidates for devices such as quantum dot light emitting diodes (QLEDs). The realization of integrated QD-based devices, particularly in QLED displays, necessitates patterning techniques that offer high resolution, high fidelity, and preserved luminescence. Direct photopatterning <i>via</i> photocrosslinking chemistry has emerged as a promising strategy, which achieves microscale to nanoscale patterning by using light-triggered reactions of surface ligands to modulate QD colloidal stability without compromising their optical properties. This review outlines recent advances in photocrosslinking-enabled direct photopatterning of QDs for QLED applications. We begin by introducing the underlying mechanisms and representative photochemistries for direct patterning. Subsequently, we survey various photocrosslinking chemistries and their applications in QD patterning. Drawing on case studies of representative photocrosslinking mechanisms, we discuss key molecular design principles for crosslinkers toward high-performance QLEDs. Furthermore, we extend the discussion to patterning of other functional nanomaterials, such as metal-organic frameworks, and to three-dimensional QD printing. Finally, we conclude with an outlook on future developments and the broadening applications of photocrosslinking-enabled patterning technologies. Quantum dot ; Realization (probability) ; Light-emitting diode ; Diode ; Colloid ; Quantum Quantum Dots Synthesis And Properties ; Carbon and Quantum Dots Applications ; Nanocluster Synthesis and Applications
Authors: Shi-Shun Chen | Dong-Hua Niu | Wen-Bin Chen | Jia-Yun Song | Ya-Fei Zhang | Xiao-Yang Li | Enrico Zio
Source: IEEE Transactions on Reliability (article, 2026-01-01)
Field: Materials Science — Polymers and Plastics

Reliability Modeling of Single-Sided Aluminized Polyimide Films During Storage Considering Stress-Induced Degradation Mechanism Transition Single-sided aluminized polyimide films (SAPF) are widely used in thermal management of aerospace systems. Although the reliability of SAPF in space environments has been thoroughly studied, its reliability in ground environments during storage is always ignored, potentially leading to system failure. This paper aims to investigate the reliability of SAPF in storage environments, focusing on the effects of temperature and relative humidity. Firstly, the relationship between the performance degradation of SAPF and aluminum corrosion is identified. Next, considering the presence of two distinct stages in the influence of temperature on aluminum corrosion, a novel degradation model accounting for the degradation mechanism transition is developed. Additionally, a parameter analysis method is proposed for determining SAPF degradation mechanism based on experimental data. Then, a statistical analysis method incorporating an improved rime optimization algorithm is employed for parameter estimation, and the reliability model is established. Experimental results demonstrate that the proposed method effectively identifies two distinct stages in the impact of temperature on SAPF performance degradation. Furthermore, the proposed degradation model outperforms traditional degradation models with unchanged degradation mechanism in terms of degradation prediction accuracy, extrapolation capability and robustness, indicating its suitability for describing the degradation pattern of SAPFs. Degradation (telecommunications) ; Reliability (semiconductor) ; Extrapolation ; Mechanism (biology) ; Polyimide ; Thermal ; Temperature cycling ; Aerospace Synthesis and properties of polymers ; Silicone and Siloxane Chemistry ; Polymer Nanocomposites and Properties