jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Céline Bourgois | Ludovic Troian-Gautier | Winald R. Kitzmann
Source: ChemRxiv (article, 2026-01-28)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Live and Let Dye: The Ongoing Story of [Ru(bpy)3]2+ [Ru(bpy)3]2+ has long served as the archetypal coordination complex for probing inorganic photophysics and photochemistry. Its intense visible MLCT absorption, quantitative intersystem crossing, and microsecond 3MLCT lifetime established it as a benchmark photosensitizer across energy conversion, sensing, and catalysis. This review complements a recent historical perspective on [Ru(bpy)3]2+ by providing a contemporary view of its use as a versatile platform for advanced photochemical design. We first discuss updated views of its excited-state landscape, including refined descriptions of metal-centered states, minimum-energy crossing points, and photodissociation pathways, as well as the profound influence of counterions and microenvironments on excited-state energetics, stability, and reactivity. We then survey emerging applications, multiphoton solvated electron generation, mechanochemical ball-mill photoredox catalysis and spin-forbidden red-light excitation. Next, we examine polynuclear complexes and dyads derived from the [Ru(bpy)3]2+ scaffold, emphasizing delocalized and anti-dissipative 3MLCT states, long-lived charge separation, and integration into biohybrid or supramolecular architectures. Finally, we outline “real-life” applications in industrial photoredox chemistry, electrochemiluminescence immunoassays, oxygen sensing, and photodynamic therapy, and we position [Ru(bpy)3]2+ alongside emerging photosensitizers based on earth-abundant metals. Rather than being superseded, [Ru(bpy)3]2+ now functions as both a robust technological workhorse and an indispensable reference for next-generation photocatalyst design. Intersystem crossing ; Photosensitizer ; Delocalized electron ; Photoredox catalysis ; Supramolecular chemistry ; Microsecond ; Perspective (graphical) Magnetism in coordination complexes ; Nonlinear Optical Materials Studies ; Supramolecular Chemistry and Complexes
Authors: Radwa A. Hanafy | K. Gokulan | Sangeeta Khare
Source: Frontiers in Cellular and Infection Microbiology (article, 2026-02-17)
Field: Materials Science — Materials Chemistry

Silver nanoparticles at sub-cytotoxic levels increase enteric pathogen invasion by compromising intestinal epithelial barrier integrity Given the increasing use of AgNPs into orally ingested consumer products, these results underscore a potential health risk associated with chronic AgNPs ingestion and highlights the need to re-evaluate their safety in the context of gastrointestinal health and host-pathogen interactions. Intracellular ; Proinflammatory cytokine ; Pathogen ; Secretion ; Cytokine ; Tight junction ; Intestinal epithelium ; Silver nanoparticle ; Epithelium Nanoparticles: synthesis and applications ; Nanocomposite Films for Food Packaging ; Biosensors and Analytical Detection
Authors: Zhenyu Yan | Wei Dong | Xiaobo Ma | Dongyan Jiang | Shuyuan Ge | Ping Lu
Source: Angewandte Chemie International Edition (article, 2026-01-28)
Field: Materials Science — Materials Chemistry

Highly Efficient Deep‐Blue Room‐Temperature Phosphorescence With Tunable Long‐Lived Afterglow and Reversible Photoactivation Behavior Wide band gap organic molecule with ultralong room-temperature phosphorescence (RTP) remains a big challenge in optoelectronic field due to the intrinsic large Stokes shift of phosphorescence relative to fluorescence, and complexity of filling and stabilizing high-energy triplet excited states. In this work, three organic small molecules, MSPA, BSPA, and TSPA, based on succinimide and triphenylamine groups are designed and synthesized, and deep-blue RTP with reversible photoactivation properties is successfully realized by physically doping them into polyvinyl alcohol (PVA) matrix. Notably, MSPA-doped film exhibits RTP at 440 nm with ultralong lifetime of 1403 ms and phosphorescence quantum yield as high as 14.32%. Theoretical calculations reveal that the efficient intersystem crossing and strong intermolecular hydrogen-bonding interactions leads to the ultralong RTP in MSPA/PVA doping system. Taking advantages of the wide band gaps, tunable organic afterglow, and reversible photoactivation behaviors of MSPA, BSPA, and TSPA, the amorphous and flexible films are prepared and show potential applications in photoactivated information encryption, advanced anti-counterfeiting, and multicolored displays through triplet-to-singlet Förster energy transfer. This work provides a reliable strategy to realize high-performance wide band gap RTP materials and further broadening practical applications in organic optoelectronic information. Phosphorescence ; Intersystem crossing ; Triphenylamine ; Excited state ; Doping ; OLED ; Band gap ; Cyanine ; Afterglow Luminescence and Fluorescent Materials ; Organic Light-Emitting Diodes Research ; Carbon and Quantum Dots Applications
Authors: Muhammad S. Mustafa | Wrya O. Karim
Source: RSC Advances (article, 2026-01-01)
Field: Materials Science — Materials Chemistry

Environmentally friendly fluorescence platform for detection of tetracycline in pharmaceutical formulations and human serums based on highly fluorescent 1,4-di-2-(5-phenyloxazolyl)-benzene Tetracycline (TC) is an efficient antibiotic used for curing different bacterial infections in both humans and animals. Accurate and precise detection of TC is a requisite for quality control of pharmaceutical productions and patient safety using a reliable method. This study presents a highly sensitive and selective strategy based on utilizing 1,4-di-2-(5-phenyloxazolyl)-benzene (POB) as a molecular fluorescence sensor for detecting TC. POB displays an optimal excitation and a high-intensity emission at 355 nm and 418 nm, respectively. The TC-POB interaction leads to a remarkable quenching of the fluorescence, allowing fluorometric detection of TC. A linear calibration curve in a range of 0.5-40 µM along with a limit of detection (LOD) of 0.143 µM was established. The analytical applicability of the developed method was estimated for measuring TC within pharmaceutical formulations and human serum samples, revealing high accuracy and precision. Ultimately, the greenness of the proposed method was inspected <i>via</i> the Analytical Greenness Metrics for Sample Preparation (AGREEprep) and the Analytical Greenness Index (BAGI), emphasizing the eco-friendly feature with respect to sample preparation steps, applicability, and practicability. Fluorescence ; Tetracycline ; Environmentally friendly ; Chemical sensor ; Fluorescence spectroscopy Carbon and Quantum Dots Applications ; Pharmaceutical and Antibiotic Environmental Impacts ; Luminescence and Fluorescent Materials
Authors: Bożena Jarząbek | Muhammad Raheel Khan | Barbara Hajduk | Andrzej Marcinkowski | Paweł Chaber | Adrian Cernescu | Yasin C. Durmaz
Source: Polymers (article, 2026-01-20)
Field: Materials Science — Polymers and Plastics

The Effect of Thermal Annealing on Optical Properties and Surface Morphology of a Polymer: Fullerene- and Non-Fullerene-Blend Films Used in Organic Solar Cells The optical properties, electronic structure and morphology of thin films of the polymer donor PTB7-Th blended with either the fullerene acceptor PC70BM or the non-fullerene acceptor ZY-4Cl were systematically investigated to evaluate their annealing-induced evolution. Thin films were characterized using UV-Vis-NIR absorption spectroscopy, spectroscopic ellipsometry, ATR-FTIR spectroscopy, atomic force microscopy (AFM), and nano-IR analysis. In situ stepwise thermal annealing revealed distinct changes in absorption edge parameters, indicating thermally induced modifications in the electronic structure of the blend films. Ellipsometric analysis showed that elevated temperatures significantly affect the refractive index and extinction coefficient spectra. AFM measurements demonstrated markedly different surface morphology evolution for the two blend systems, with pronounced needle-shaped crystallites formation observed in PTB7-Th:ZY-4Cl films after annealing at 100 °C. Nano-IR characterization identified these crystallites as predominantly PTB7-Th, indicating phase separation driven by thermal treatment. The combined optical and structural results reveal distinct annealing-induced changes in the blend. Finally, BHJ solar cells, based on PTB7-Th:PC70BM and PTB7-Th:ZY-4Cl active layers, were fabricated, and their photovoltaic response was demonstrated. Crystallite ; Annealing (glass) ; Thin film ; Molar absorptivity ; Organic solar cell ; Acceptor ; Refractive index ; Absorption edge ; Polymer solar cell Polymer Nanocomposite Synthesis and Irradiation ; Organic Electronics and Photovoltaics ; Fullerene Chemistry and Applications
Authors: Thanh Chung Pham | Gun Kim | Pham Van Thong | Tran Ngoc Dung | Hung Tan Pham | Nguyen Van Trang | Le T. M. Thanh | Arne Meulemans | Luc Van Meervelt | Eduard Fron | Mark Van der Auweraer | Daniel Escudero | Hue Minh Thi Nguyen | Wim Dehaen
Source: Dalton Transactions (article, 2026-01-01)
Field: Materials Science — Materials Chemistry

Light- and copper-activated (photo)cytotoxicity of 8-hydroxyquinoline-based boron photosensitizers with lipid droplet targeting and lipid peroxidation accumulation 8-Hydroxyquinoline-based tetracoordinate boron complexes have been observed to exhibit pronounced luminescence and light-activated reactive oxygen species (ROS) generation, while their copper(II) analogs demonstrate significant cytotoxic effects in cancer cells. Nevertheless, both types of complexes are hindered by their inherent hydrophilicity, thereby limiting their efficacy in biological applications. Thus, we developed heavy-metal-free photosensitizers (PSs) based on 8-quinolinolato boron complexes, which exhibit light-activated fluorescence emission and ROS generation upon aggregation. The PSs effectively localize within lipid droplets and exhibit immediate and sustained ROS production upon exposure to light, even under hypoxic conditions, leading to lipid droplet-specific peroxidation, which is in accordance with the intracellular location, leading to ferroptosis-like cell death. Moreover, their fluorescence emission is quenched in the presence of Cu<sup>2+</sup> ions, and the produced complexes enhance cytotoxicity instead. The photophysical properties of the complexes were comprehensively studied by a combination of experimental measurements, quantum mechanical (QM) and hybrid QM/molecular mechanics (MM) simulations. Thus, this investigation offers insights into new molecular design approaches for multifunctional probes with potential applications in photodynamic therapy and chemotherapy for cancer treatment. Photodynamic therapy ; Fluorescence ; Lipid peroxidation ; Tetracoordinate ; Cytotoxicity ; Reactive oxygen species ; BODIPY ; Boron Luminescence and Fluorescent Materials ; Organoboron and organosilicon chemistry ; Photochromic and Fluorescence Chemistry
Authors: Jiaming Yi | Zhiwei Xing | Zhuozhi Lai | Qing Guo | Huixia Lv | Sai Wang | Qi Sun
Source: Angewandte Chemie International Edition (article, 2026-02-01)
Field: Materials Science — Materials Chemistry

Substituent‐Induced Secondary Interactions Reprogram Ion Permselectivity in Cationic Covalent Organic Framework Membranes Precise modulation of ion permselectivity in synthetic membranes is crucial for advancing separation and energy conversion technologies. Here, we demonstrate that neutral substituents can reprogram the intrinsic ion selectivity of cationic covalent organic framework (COF) membranes by introducing secondary local interactions that compete with long-range Coulombic forces. Using triaminoguanidinium-based COFs as a model system, we systematically varied both the number and type of substituents on 1,3,5-trialdehyde linkers. The introduced substituents generated secondary interactions that modulated the primary Coulombic interactions between guanidinium cations and Cl<sup>-</sup> counterions. When two or more hydroxyl groups were present on the aldehyde linkers, these interactions immobilized anions and inverted the effective surface potential from positive to negative, thereby switching the transport polarity from anion- to cation-selective behavior. In contrast, methoxy substitution weakened Coulombic interactions, enhancing anion selectivity. This tunable control over the local chemical microenvironment enabled programmable and reversible ion permselectivity without altering the permanent framework charge. Leveraging this mechanism, we achieved record-high ionic thermoelectric performance, 25.9 W m<sup>-2</sup> for a single membrane and 39.1 W m<sup>-</sup> <sup>2</sup> for a stacked configuration under a 50 K temperature gradient. This work establishes substituent-mediated secondary interactions as a general and powerful strategy for programming ion transport, bridging biological selectivity principles with the design of adaptive COF-based membranes for energy harvesting and separation. Membrane ; Selectivity ; Faraday efficiency ; Ionic bonding ; Cationic polymerization ; Ion ; Covalent bond ; Ionic liquid ; Aldehyde Covalent Organic Framework Applications ; Nanopore and Nanochannel Transport Studies ; Membrane-based Ion Separation Techniques
Authors: Haote Li | Sumon Sarkar | Wenxin Lu | Patrick Loftus | Tianyin Qiu | Yu Shee | Abbigayle E. Cuomo | John-Paul Webster | H. Ray Kelly | Vidhyadhar Manee | Sanil Sreekumar | Frédéric G. Buono | Robert H. Crabtree | Timothy R. Newhouse | Vânia Batista
Source: Nature (article, 2026-01-19)
Field: Materials Science — Materials Chemistry

Collective intelligence for AI-assisted chemical synthesis Executable ; Scalability ; Mosaic ; Cornerstone ; Scientific discovery ; A priori and a posteriori ; Drug discovery Machine Learning in Materials Science ; Computational Drug Discovery Methods ; Asymmetric Hydrogenation and Catalysis
Authors: T. Fras | P. Pawlowski
Source: Journal of Dynamic Behavior of Materials (article, 2026-01-08)
Field: Materials Science — Materials Chemistry

On the Applicability of Generative Artificial Intelligence in Modelling the Dynamic Behaviour of Materials–Potentials and Pitfalls Generative grammar ; Generative model ; Experimental data ; Solid mechanics ; Key (lock) ; Compression (physics) Machine Learning in Materials Science ; Metallurgy and Material Forming ; Metal Forming Simulation Techniques
Authors: Yuyi Chu | YanXin Li | Yanxi Lyu | Di Zhang | Hao Li | Weijie Yang | Jianqiu Li | Liang Zhang
Source: Green Energy & Environment (article, 2026-02-01)
Field: Materials Science — Materials Chemistry

Artificial Intelligence‐Driven Discovery and Design of Solid-State Hydrogen Storage Materials Hydrogen storage ; Hydrogen ; Computer data storage ; Energy storage Machine Learning in Materials Science ; Hydrogen Storage and Materials ; Inorganic Chemistry and Materials
Authors: Vianna F. Jafari | James L. Grace | Jiajia Li | Joji Tanaka | Glen R. Jones | Athina Anastasaki | Wei You | Jian Zhu | Masami Kamigaito | Cyrille Boyer | Greg G. Qiao
Source: Advanced Science (article, 2026-01-14)
Field: Chemistry — Organic Chemistry

Beyond Traditional RAFT Polymerization: Emerging Strategies and Future Perspectives; A Third Update Reversible addition-fragmentation chain transfer (RAFT) polymerization has undergone transformative growth since its inception in 1998, emerging as a powerful and versatile tool for precision polymer synthesis. This review highlights the latest developments in non-traditional RAFT polymerization from 2020 to 2025, capturing major innovations in activation techniques and expanding applications. Key emerging directions include the integration of RAFT into smart synthesis platforms powered by artificial intelligence, enabling high-throughput and autonomous polymer discovery, and innovations in RAFT depolymerization that support sustainable plastic recycling. With RAFT increasingly accessible to diverse materials science domains, this review provides a forward-looking perspective on the evolving capabilities and future potential of RAFT polymerization. Raft ; Transformative learning ; Reversible addition−fragmentation chain-transfer polymerization ; Perspective (graphical) ; Emerging technologies ; Depolymerization Advanced Polymer Synthesis and Characterization ; biodegradable polymer synthesis and properties ; Synthetic Organic Chemistry Methods
Authors: Adél Szerlauth | Zsuzsanna D. Kónya | Kaori Sugihara | Marko Pavlović | Gábor Varga | István Szilágyi
Source: Advances in Colloid and Interface Science (article, 2026-02-13)
Field: Materials Science — Materials Chemistry

Anionic clay-based nanozymes: Interfacial regulation, structural design and functional applications Anionic clays, also known as layered double hydroxides (LDHs) or hydrotalcites, have recently emerged as a versatile class of ion-intercalated two-dimensional colloidal anionic clay materials capable of mimicking enzymatic functions. Their tunable composition, high surface charge density and advantageous interfacial features enable properly controlled redox and biocatalytic activities, positioning them as promising candidates for the design of enzyme mimicking materials, so-called nanozymes. This review integrates the structural chemistry of LDHs with their biocatalytic performance. Two main categories are distinguished, namely, Type 1 LDH nanozymes, where enzymes or biomolecules are immobilized on or within the lamellar host, as well as Type 2 LDH nanozymes, which rely on the intrinsic redox activity of the layered structure itself. The interplay between interface regulation, ion exchange and nanoscale confinement dictates substrate accessibility and biocatalytic turnover in both systems. Representative examples demonstrate applications in antioxidant agents, antibacterial or anticancer therapies and environmental sensing. The contribution concludes by outlining conceptual and methodological frontiers that merge colloid science with emerging design paradigms, such as AI-guided materials discovery, multi-nanozyme cocktail assemblies, advanced microfluidic synthesis and environmental interfaces for detecting or degrading emerging contaminants. By uniting surface chemistry with bioinspired catalysis, LDH-based nanozymes exemplify the transformation of traditional clays into adaptive, multifunctional materials at the forefront of colloid science. Layered double hydroxides ; Merge (version control) ; Biomolecule ; Colloid ; Nanoscopic scale ; Redox ; Rational design Layered Double Hydroxides Synthesis and Applications ; Advanced Nanomaterials in Catalysis ; Carbon and Quantum Dots Applications
Authors: Chunjun Qin | Junjie Fu | Guangzong Tian | Xiaopeng Zou | Jing Hu | Peter H. Seeberger | Jian Yin
Source: Chem & Bio Engineering (article, 2026-01-13)
Field: Chemistry — Organic Chemistry

Industrial Chemical Glycan Synthesis (ICGS): Process Intensification of Glycosylations The industrial production of biologically active glycans is pivotal to the development and manufacture of glycan-based medicinal products. Chemical synthesis is critical to acquiring well-defined glycans for glycobiology investigations and the advancement of glycan-enabled applications. Efforts toward industrial chemical glycan synthesis (ICGS) are hampered by unique challenges associated with their structural complexity and diversity. The major bottleneck in ICGS are regio- and stereoselective glycosylations. In this Perspective, we review the process intensification of glycosylations based on innovative methodologies and devices, and highlight its contributions to ICGS. Five topics including optimization of glycan assembly sequence, modulation of glycosylation reactivity, adjustment of environmental parameters, development of an automated chemical glycan synthesizer, and application of artificial intelligence (AI) to glycan synthesis will be discussed. We also present prospects for accelerating ICGS through process intensification of glycosylation, including the integration of AI techniques, the development of glycosylation-oriented special large-scale reactors and flow chemistry platforms. Glycan ; Glycobiology ; Bottleneck ; Process (computing) ; Glycosylation ; Process development Carbohydrate Chemistry and Synthesis ; Glycosylation and Glycoproteins Research ; Proteoglycans and glycosaminoglycans research
Authors: Muhammad Irfan | Asma Shahi | Muhammad Ahsaan Bari | Laiba | Shahid Atiq | Abdul Shakoor | Imran Sadiq | Ammar Tariq | Muhammad Adnan | Amir Shahzad | Muhammad Tamoor Ansar | Muhammad Haroon | Fatima Saleem | Abdul Rasheed | Farooq Ahmad
Source: RSC Advances (article, 2026-01-01)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Emerging composite electrode architectures based on transition metal oxides for high-performance Li-ion capacitors Lithium-ion capacitors (LICs) have emerged as next-generation electrochemical energy storage systems by effectively bridging the long-standing performance gap between lithium-ion batteries and supercapacitors (SCs), offering a rare combination of high energy density, high power density, and ultralong cycle life. Despite their tremendous potential for electric vehicles, grid stabilization, and high-power electronics, the widespread deployment of LICs remains fundamentally constrained by the limited kinetics, structural instability, and interfacial incompatibility of electrode materials. In this context, transition metal oxides (TMOs) have attracted considerable interest as LIC electrode materials due to their exceptionally high theoretical pseudocapacitance, Earth-abundance, low cost, and environmental compatibility. However, a critical misconception persists in the field that high pseudocapacitance alone guarantees superior LIC performance, whereas in reality, the decisive factors lie in the rational integration of composition, nanostructure, electronic conductivity, and electrode-electrolyte interface design. This review provides a comprehensive and critical analysis of TMO-based composite electrodes for LICs, systematically correlating synthesis strategies, structural engineering, heterointerface construction, and defect chemistry with charge-storage mechanisms and device-level performance. Beyond experimental progress, we integrate emerging theoretical, multiscale modeling, and data-driven approaches to establish predictive structure-property-performance relationships. By unifying materials chemistry, electrochemical kinetics, and interface science, this work identifies key bottlenecks in current TMO-based LIC technologies, clarifies prevalent oversimplifications in performance interpretation, and formulates validated design principles for achieving simultaneously high energy, high power, and long-term durability. Ultimately, this review offers a forward-looking framework to guide the scalable development of sustainable, high-performance TMO-based LICs for future energy storage technologies. Pseudocapacitance ; Supercapacitor ; Capacitor ; Energy storage ; Bridging (networking) ; Electrode ; Scalability ; Electrochemical energy storage Supercapacitor Materials and Fabrication ; Advancements in Battery Materials ; Electric and Hybrid Vehicle Technologies
Authors: Jingyuan Zhao | Yunhong Che | Yuqi Li | Stephen Harris
Source: eTransportation (article, 2026-01-14)
Field: Materials Science — Materials Chemistry

From hype to impact: A roadmap for trustworthy battery AI Interoperability ; Trustworthiness ; Metadata ; Battery (electricity) ; Robustness (evolution) ; Data governance ; Corporate governance Machine Learning in Materials Science ; Advanced Battery Technologies Research ; Explainable Artificial Intelligence (XAI)
Authors: Xinqian Zhao | Xu Qin | Shouxin Xia | Jiabao Long | Dabiao Xia | Huabao Yang | Di Zhao | Qinghang Wang | Daolun Chen
Source: Journal of Magnesium and Alloys (article, 2026-01-01)
Field: Materials Science — Materials Chemistry

Data-driven corrosion assessment of magnesium alloys: A multi-level graph attention network for quantitative hydrogen-evolution prediction Corrosion ; Magnesium ; Graph ; Graph theory Machine Learning in Materials Science ; Hydrogen embrittlement and corrosion behaviors in metals ; Corrosion Behavior and Inhibition