jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Sriraksha Rao | Sowmya R. Holla | Selva Ganesh Kumar | S. Subbalaxmi
Source: Materials Research Express (article, 2026-03-12)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Scalable synthesis strategies for MOS <sub>2</sub> : a systematic review for high-performance supercapacitor applications Abstract To meet the escalating demands for efficient energy storage, researchers are turning their attention to the cutting-edge electrode materials, and molybdenum disulfide, or MoS 2 , is fast emerging as a top contender for Supercapacitor application. SCs are renowned for their rapid charge-discharge properties and high-power density, and as such their performance is heavily dependent on the electrochemical properties of their electrodes. The highly ordered, 2D structure and redox favorable properties of the transition metal dichalcogenides, and specifically MoS 2 , made them stand out from other materials. Nonetheless, there was no easy method of manufacturing high-quality MoS 2 , that could reliably scale up production, and yet be economical. Exfoliation, hydrothermal synthesis, chemical vapour deposition, microwave-assisted synthesis, and electrochemical methods were the several methods investigated. Hydrothermal synthesis turned out to be the winner, mainly because it is straightforward, inexpensive, and allows for MoS 2 to be produced with the desired electrochemical properties. In this review, the authors go in-depth into how the synthesis methods influence the physical make-up and how well MoS 2 works in Supercapacitors, underlining its potential for the future of energy storage. Supercapacitor ; Hydrothermal circulation ; Electrochemistry ; Molybdenum disulfide ; Scalability ; Electrode ; Electrochemical energy storage Supercapacitor Materials and Fabrication ; 2D Materials and Applications ; MXene and MAX Phase Materials
Authors: Geyang Song | Jiameng Song | Qi Li | Xiaoli Shi | Xinyi Liu | Delu Pan | Tengfei Kang | Jianyang Dong | Gang Li | Huaming Sun | Juan Fan | Chao Wang | Dong Xue
Source: Nature Communications (article, 2026-03-27)
Field: Chemistry — Organic Chemistry

Photoinduced Mn catalysis for efficient platform for C-heteroatom bond coupling of aryl halides Photoinduced transition metal catalysis offers innovative strategies for fostering novel chemical reactions and improving established ones. In this work, we present a highly efficient, photoinduced Mn(II)-bipyridine catalyzed C-N, C-O and C-S coupling reaction between aryl halides-particularly less reactive aryl chlorides-and nucleophiles containing nitrogen, oxygen, and sulfur. This protocol does not need an external photocatalyst, as the single Mn(II)-bipyridine complex simultaneously serves as both the light-harvester and the metal catalyst. This method exhibits excellent substrate scope, covering eight different nitrogen sources for C-N coupling, as well as C-O coupling with alcohols, C-S coupling with thiophenols, encompassing more than 150 examples, with yields reaching up to 94%. Mechanistic studies suggest that this reaction may be initiated and sustained by the Mn(I) species through the photoinduced homolysis of the catalyst precursor bipyridine-Mn(II)(OAc)<sub>2</sub>, likely proceeding via a Mn(I)/Mn(III) catalytic cycle. Homolysis ; Catalysis ; Aryl ; Halide ; Nucleophile ; Substrate (aquarium) ; Coupling reaction ; Coupling (piping) Sulfur-Based Synthesis Techniques ; Catalytic Cross-Coupling Reactions ; Catalytic C–H Functionalization Methods
Authors: H. Moore | María Elena Sánchez Vergara | Edgar Alvarez-Zauco | Yazmín Paola Aguirre Macías
Source: Journal of Composites Science (article, 2026-01-23)
Field: Materials Science — Polymers and Plastics

Fabrication of Phthalocyanine–Polymer Matrix Composites for Bio-Based Sustainable Devices This study presents the fabrication of composite photoelectrodes containing halogenated phthalocyanines (F16CuPc and MnPcCl) embedded in polymeric matrices of PEDOT:PSS (poly(2,3-dihydrothieno-1,4-dioxin)-poly(styrenesulfonate)) and PLA (polylactic acid biopolymer). These composites were deposited on PET, palm leaf, and wheat bagasse recyclable substrates, and were morphologically characterized. The reflectance for F16CuPc/PEDOT:PSS is less than 8.5%, and that for MnPcCl/PLA changes depending on the substrate, ranging between 10% and 40%. Additionally, in the case of F16CuPc/PEDOT:PSS, the Kubelka–Munk band gap is 3.7 eV, and in the case of F16CuPc/PEDOT:PSS, the band gap varied between 2.85 and 3.47 eV. The composites were evaluated as electrodes in bio-based sustainable devices, fabricated with commercially available paper towels used as an organic membrane separator. The palm-device showed the best performance throughout its charge and discharge cycle. The device improves its performance at high speeds and reaches its highest peak at 100 mV s−1 with 3.14 × 104 μA. On the other hand, the greatest thermal stability for the composites is for those deposited onto bagasse substrate, reaching up to 220 °C and 357 °C for F16CuPc/PEDOT:PSS and MnPcCl/PLA, respectively. Also, these composites exhibit charge–discharge behavior when studied in bio-based sustainable devices and can be used as electrodes. Fabrication ; Bagasse ; Composite number ; Thermal stability ; Matrix (chemical analysis) ; Electrode Conducting polymers and applications ; Solar-Powered Water Purification Methods ; Advanced Sensor and Energy Harvesting Materials
Authors: Arjun Siwach | Halak Shukla | Ashmita Jain | Himanshu Shekhar | Iti Gupta
Source: Chemistry - An Asian Journal (article, 2026-01-01)
Field: Materials Science — Materials Chemistry

Estrone Linked BODIPYs: Assessing Their Role as Sonosensitizers for Antimicrobial Applications Sonodynamic therapy (SDT) is a promising modality for anticancer and antimicrobial applications for deep seated wounds and infections. The boron-dipyrromethene based photosensitizers can be activated by ultrasound (US) for therapeutic applications of SDT. The estrone linked BODIPY were synthesized and characterized. The linker between estrone unit and boron-dipyrrin unit was varied from phenyl to thiophene rings. Estrone substituted BODIPYs exhibited noticeable red shifts (12-36 nm) in the absorption and emission maxima as compared to the meso-phenyl BODIPY (standard reference BODIPY), with relatively larger Stokes shifts (719-2095 cm<sup>-1</sup>). TD-DFT calculation indicated significant intramolecular charge transfer from estrone linker unit to the boron dipyrrin unit. This study demonstrates the feasibility of using estrone linked BODIPYs sonosensitizers for antimicrobial sonodynamic therapy (SDT). Among them, EBD-1 exhibited the highest singlet oxygen quantum yield (∼90%) and demonstrated potent antibacterial activity, achieving ≥ 3 log<sub>10</sub> reduction (≥ 99.9%) in Escherichia coli (E. coli) viability under microbubble assisted sonodynamic therapy. Estrone ; Sonodynamic therapy ; Singlet oxygen ; Antimicrobial ; Linker ; BODIPY Luminescence and Fluorescent Materials ; Ultrasound and Hyperthermia Applications ; Nanoplatforms for cancer theranostics
Authors: Wenfeng Gu | Zhuozhuo He | Haiyang Wang | Lingzi Peng | Chang Guo
Source: Nature Communications (article, 2026-01-20)
Field: Chemistry — Organic Chemistry

Nickel-catalyzed divergent sulfonations of propargylic carbonate Chiral sodium sulfinates serve as crucial synthetic intermediates utilized for rapidly producing a variety of enantioenriched sulfone derivatives that are pervasive in the fields of pharmaceutical chemistry and chemical synthesis. Here we present a practical and highly effective method for the nickel-catalyzed asymmetric sulfonation of propargylic carbonates for the production of essential synthetic building blocks. Notably, sodium 1-methyl 3-sulfinopropanoate (SMOPS), a commercially available sulfonylation reagent, has potential for in situ unmasking and functionalization in the formation of enantioenriched sulfinate salts for diverse product diversification. With operational simplicity and remarkable tolerance toward diverse functional groups, this methodology provides an extensive collection of biologically relevant propargylated, allenylated, and 1,3-dienylated sulfones, with excellent yields and regio- and stereoselectivities. Sulfone ; Chemical synthesis ; Sodium carbonate ; Sodium ; Carbonate ; Simplicity ; Reaction conditions Sulfur-Based Synthesis Techniques ; Catalytic Alkyne Reactions ; Cyclopropane Reaction Mechanisms
Authors: Emilia Martula | Weronika Bagrowska | Paulina Strzyga-Łach | Marta Struga | Małgorzata Latocha | Dariusz Kuśmierz | Małgorzata Jeleń | Beata Morak-Młodawska
Source: Biomolecules (article, 2026-02-26)
Field: Chemistry — Organic Chemistry

New 1,2,3-Triazole and Dipyridothiazine Hybrids—Synthesis, Analysis, Cytotoxicity and Molecular Docking Epigenetic and stress-response pathways play central roles in cancer progression and represent attractive therapeutic targets. In this study, a series of dipyridothiazine-1,2,3-triazole hybrids bearing <i>p</i>-fluorophenyl and <i>p</i>-trifluoromethylphenyl substituents was synthesized via efficient dipolar cycloaddition reactions. Structural characterization was performed using <sup>1</sup>H, <sup>13</sup>C, and <sup>19</sup>F NMR spectroscopy and high-resolution mass spectrometry. Anticancer activity was evaluated using WST-1 and MTT assays against human cancer cell lines SNB-19 (glioblastoma), C32 (amelanotic melanoma), A549 (lung carcinoma), and MDA-MB-231 and MCF-7 (breast cancer), as well as normal HFF-1 fibroblasts and HaCaT keratinocytes, with doxorubicin and cisplatin as reference drugs. The hybrids <b>TDT2b</b> and <b>TDT3b</b> containing a <i>p</i>-trifluoromethylphenyl moiety showed the highest cytotoxicity and cancer cell selectivity. RT-qPCR analysis of <i>H3</i>, <i>TP53</i>, <i>CDKN1A</i>, <i>BCL-2</i>, and <i>BAX</i> expression for the lead compound <b>TDT2b</b> revealed modulation of chromatin organization, p53-dependent stress responses, apoptosis, and cell cycle regulation. Molecular docking studies with human histone deacetylase 6 (HDAC6) demonstrated favorable binding of <b>TDT2b</b> and <b>TDT3b</b>, supporting their role as potential epigenetic anticancer agents. Cytotoxicity ; HaCaT ; Cisplatin ; Docking (animal) ; Histone deacetylase ; Doxorubicin ; Vorinostat ; A549 cell ; MTT assay ; Cancer cell Click Chemistry and Applications ; Synthesis and biological activity ; Quinazolinone synthesis and applications
Authors: Niharikaa Banerjee
Source: Journal of High School Science (article, 2026-03-02)
Field: Materials Science — Electronic, Optical and Magnetic Materials

From nanodots to nanowires: simple ion-controlled morphology engineering of manganese oxide nanostructures This study presents a simple and cost-effective approach for morphology control of manganese oxide (MnOx) nanomaterials through manipulation of reaction stoichiometry and post-synthesis processing. By systematically varying the molar concentration of hydrochloric acid (HCl) and applying controlled rinsing steps, a transition from nanoparticle-dominated (0D) to nanorod-rich (1D) morphologies was achieved without the use of templates or advanced fabrication techniques. Six samples synthesized under different conditions were characterized using X-ray diffraction (XRD), field-emission scanning electron microscopy (FE-SEM), and energy-dispersive X-ray spectroscopy (EDX). The results suggest that morphology evolution is governed by a growth regime defined by the balance between Mn²⁺ generation, Mn²⁺ stabilization, and the resulting MnO₂ supersaturation. Within the studied range, increased acidity enhances Mn²⁺ generation and promotes MnO₂ formation, leading to higher effective supersaturation and the onset of anisotropic growth. In this framework, residual potassium (K⁺)-containing species are interpreted as secondary, growth-modifying factors that may influence the extent of anisotropy, rather than as primary determinants of phase formation or morphology. EDX analysis indicates a qualitative reduction in residual K content following rinsing, although these measurements remain semi-quantitative. The relationship between K content and morphology is therefore interpreted cautiously, as the effective K⁺–to–MnOx ratio is not directly measured and cannot be decoupled from concurrent changes in ionic strength and chloride concentration. Overall, these findings highlight the coupled roles of reaction stoichiometry and ion-mediated growth in shaping MnOx nanostructures, and demonstrate a simple, scalable strategy for morphology engineering in manganese oxide systems. Morphology (biology) ; Stoichiometry ; Manganese ; Scanning electron microscope ; Nanomaterials ; Nanodot ; Nanoparticle ; Oxide ; Supersaturation Supercapacitor Materials and Fabrication ; Advancements in Battery Materials ; Geochemistry and Elemental Analysis
Authors: Baihan Wang
Source: Transactions on Environment Energy and Earth Sciences (article, 2026-01-22)
Field: Materials Science — Materials Chemistry

Nanomaterials in Cosmetics: Safety Concerns and Approaches for Risk Reduction Nanotechnology has become an important driver of innovation in the development of cosmetics industry, offering enhanced stability, improved skin penetration and absorption and increased efficacy of active ingredients. However, the safety of nanomaterials has raised widespread concerns, especially their ability to penetrate biological barriers and enter the human body system. This article reviews the major mechanisms through which nanoparticles (NPs) may cause damage to human health, focusing on oxidative stress, immune response and bioaccumulation. At the same time, the article explores several strategies to mitigate nanoparticle-induced hazards, including the use of biocompatible materials, surface modification techniques such as surface coatings and charge modification and doping techniques to balance biocompatibility and efficacy. Finally, the article looks at a future with a combination of technological advancement and regulatory recommendations. The article also emphasizes the significance of establishing harmonized regulatory frameworks with the aim to contribute to the safe and sustainable application of nanomaterials in cosmetics. Biocompatible material ; Human use ; Cosmetics ; Human health ; Biocompatibility ; Nanomaterials Nanoparticles: synthesis and applications ; Effects and risks of endocrine disrupting chemicals ; Antimicrobial agents and applications
Authors: Ruyan Zhao | Hongde Yu | Heng Zhang | Lei Tao Gao | Arafat Hossain Khan | Congxue Liu | Xiaodong Li | Xingyuan Chu | Yubin Fu | Darius Pohl | Angelika Wrzesińska‐Lashkova | Eike Brunner | Yana Vaynzof | Hai I. Wang | Mischa Bonn | Thomas Heine | Mingchao Wang | Xinliang Feng
Source: Nature Communications (article, 2026-02-03)
Field: Materials Science — Materials Chemistry

Diketopyrrolopyrrole-based two-dimensional poly(arylene vinylene)s with high charge carrier mobility Layered two-dimensional conjugated polymers (2D CPs), or 2D conjugated covalent organic frameworks, are promising semiconductor materials for (opto)electronics and photocatalysis, but their performance is often limited by insufficient in-plane conjugation and poor charge transport. Guided by density functional theory calculations, we report two donor-acceptor-type 2D poly(arylene vinylene)s constructed from thienyl-benzodithiophene and diketopyrrolopyrrole units. These materials are predicted to exhibit strongly dispersive energy bands with ultralow in-plane effective masses (0.036 - 0.159 m<sub>0</sub>), enabling intrinsic charge mobilities approaching 2000 cm<sup>2 </sup>V<sup>-1</sup> s<sup>-1</sup>. Solid-state Aldol-type 2D polycondensation yields crystalline materials with optical band gaps as narrow as 1.0 eV. Terahertz spectroscopy reveals long charge carrier scattering times of 76 fs and a high room-temperature mobility of 310 cm<sup>2 </sup>V<sup>-1</sup> s<sup>-1</sup>, surpassing previously reported linear and 2D CP powder samples. This work highlights donor-acceptor engineering as an effective strategy to enhance charge transport in 2D CPs. Charge (physics) ; Charge carrier ; Conjugated system ; Electron mobility ; Semiconductor ; Density functional theory ; Polymer ; Terahertz spectroscopy and technology ; Organic semiconductor Covalent Organic Framework Applications ; Advanced Photocatalysis Techniques ; 2D Materials and Applications
Authors: Meng Yang | Julianna Oláh | Zoltán Benkő
Source: Chemistry - A European Journal (article, 2026-02-11)
Field: Chemistry — Organic Chemistry

Addition Reactions of Phosphorus‐Centered Radicals onto Olefins: Interplay Between Stability and Reactivity Phosphorus-centered radicals are important intermediates in various chemical transformations, enabling wide-ranging applications. Among these, the addition of radicals onto the carbon centers of olefins is the common key step in two distinct synthetic approaches: the P-H addition reactions catalyzed by radical additives, as well as the radical-induced polymerization. To gain a comprehensive understanding of reactivity trends, we explored computationally how the chemical nature of radicals affects the thermodynamics and kinetics of their reaction toward the parent ethylene and a set of variously substituted olefins. As a result, the fundamental differences between the main types of phosphinyl and phosphonyl radicals have been clarified. In general, the reaction energies of additions correlate with the radical stabilization energies obtained for the attacking radical: Less stable radicals lead to more exothermic reactions, and their reactions are also characterized by lower activation barriers. Consequently, the relative reactivity of a P-centered radical, in terms of both kinetic and thermodynamic parameters of the addition, can be well predicted using the easily accessible radical stabilization energies prior to experiments. The predictive value of this methodology was verified using explicitly calculated energies on a set of radicals suitable for experimental investigations. Radical ; Reactivity (psychology) ; Exothermic reaction ; Chemical stability ; Kinetics ; Chemical reaction ; Radical disproportionation ; Reaction mechanism ; Chemical kinetics Radical Photochemical Reactions ; Organometallic Complex Synthesis and Catalysis ; Synthesis and characterization of novel inorganic/organometallic compounds
Authors: Magdalena Zaręba | Magdalena Zuzanna Twardowska | Paweł Błoniarz | Jaromir B. Lechowicz | Jakub Czechowicz | Dawid Łysik | Magdalena Rzepna | Łukasz Uram
Source: Polymers (article, 2026-01-01)
Field: Materials Science — Polymers and Plastics

The Optimal Amount of PAMAM G3 Dendrimer in Polyurethane Matrices Makes Them a Promising Tool for Controlled Drug Release Systemic anticancer therapy causes a number of side effects; therefore, local drug release devices may play an important role in this area. In this study, we developed polyurethane-dendrimer foams containing different amounts of third-generation poly (amidoamine) dendrimers (PAMAM G3) to evaluate their ability to encapsulate and release the model anticancer drug doxorubicin (DOX), as well as their biocompatibility and effectiveness against normal and cancer cells in vitro. PU-PAMAM foams containing 10-50 wt% PAMAM G3 were prepared using glycerin-based polyether polyol and castor oil as co-components. Structural and rheological analyses revealed that foams containing up to 20 wt% PAMAM G3 exhibited a well-developed porous structure, while higher dendrimer loadings (≥30 wt%) led to irregular cell shapes, pore coalescence, and thinning of cell walls, and indicated a gradual loss of structural integrity. Rheological creep-recovery measurements confirmed the structural findings: moderate PAMAM G3 incorporation (≤20 wt%) increased both the instantaneous and delayed elastic modulus (E<sub>1</sub> ≈ 130-140 kPa; E<sub>2</sub> ≈ 80 kPa) and enhanced elastic recovery, reflecting improved cross-link density and foam stability. Higher dendrimer contents (30-50 wt%) caused a decline in these parameters and higher viscoelastic compliance, indicating a softer, less stable structure. The DOX loading capacity and encapsulation efficiency increased with PAMAM G3 content, reaching maximum values of 35% and 51% for 30-40 wt% PAMAM G3, respectively. However, the most sustained DOX release profiles were observed for matrices containing 20 wt% PAMAM G3. Analysis of cumulative release and kinetic modeling revealed a transition from diffusion-controlled release at low PAMAM contents to burst-dominated release at higher dendrimer loadings. Importantly, matrices containing 10-20 wt% PAMAM G3 also indicated selective anticancer action against squamous cell carcinoma (SCC-15) compared to non-cancerous human keratinocytes (HaCaT). Moreover, the DOX they released effectively destroyed cancer cells. Overall, PU-PAMAM foams containing 10-20 wt% PAMAM G3 provide the most balanced combination of structural stability, controlled drug release, and cytocompatibility. These materials therefore represent a promising platform as passive carriers in drug delivery systems (DDSs), such as local implants, anticancer patches, or bioactive wound dressings. Dendrimer ; Biocompatibility ; Polyurethane ; Rheology ; Viscoelasticity ; Polyol ; Kinetics ; Polymer Dendrimers and Hyperbranched Polymers ; Nanoparticle-Based Drug Delivery ; Advanced Polymer Synthesis and Characterization
Authors: Tshiamo Baloyi | Ndeye Fatou Diop | Rashed Ali Adam | Erence Nkuna | Gift Rutavi | M.R. Mhlongo | Ncholu Manyala | Vusani M. Maphiri
Source: Preprints.org (preprint, 2026-02-25)
Field: Materials Science — Electronic, Optical and Magnetic Materials

In Situ Synthesized Manganese Ferrite/Carbon Composite Nano-Material: A Novel Electrode Material for High-Performance Supercapacitors This study presents an in situ synthesis of a novel Manganese Ferrite/Carbon (MF/C) composite material via citrate sol–gel route followed by calcination in an inert argon (Ar) atmosphere. The structural and morphological and porosity properties were characterized using X-ray diffraction (XRD), Fourier transform infrared (FTIR) spectroscopy, scanning electron microscopy (SEM), Energy Dispersive X-ray Spectroscopy (EDX), and N2 gas physisorption analysis. Electrochemical evaluation of the MF/C in 3M KOH electrolyte in a three – electrode configuration showed a high specific capacity of 39.26 mAh g−1 at 1 Ag−1 and a rate capability of 69% at 5 Ag−1 an equivalent series resistance (ESR) of 0.798 Ω. Subsequently, an asymmetric hybrid supercapacitor device (MF/C//AC) was fabricated using MF/C as the positive electrode and human derived activated carbon (AC) as the negative electrode. The assembled device exhibited remarkable performance with a wide operating voltage window of 1.4 V, a high sweeping potential of 1 V s−1, a specific capacity, energy, power and maximum power of 42.4 mAhg−1, 16.35Wh kg−1, 1944W kg−1 and 236 kW kg−1, respectively and excellent capacitance retention of 92% after 15,000 charge–discharge cycles. The in-situ preparation approach significantly reduced synthesis time and cost compared to conventional multi-step methods as less equipment were required, while still achieving comparable or superior electrochemical performance to other supercacitors in literature. Supercapacitor ; Calcination ; Electrode ; Scanning electron microscope ; Electrolyte ; Composite number ; Manganese ; Fourier transform infrared spectroscopy Supercapacitor Materials and Fabrication ; Advancements in Battery Materials ; Catalysis for Biomass Conversion