jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Zehra Ufuk | Fatih Balcı | Filiz Altay
Source: Polymers (article, 2026-03-27)
Field: Materials Science — Biomaterials

Navigating the Bio-Composite Landscape: A Strategic Reconstruction of Electrospun Starch–Zein Nanofibers The transition from petrochemical plastics to sustainable biopolymers has created a critical demand for functional materials that do not compromise on performance. Starch and zein, due to their abundance and complementary nature, represent not just a chemical pair, but a techno-economic symbiosis: zein provides the hydrophobic shield, while starch offers the cost-effective structural volume. This review adopts a "Puzzle Theory" framework to synthesize over 80 peer-reviewed studies published between 2014 and 2025, categorizing the literature into established structural knowledge and unresolved functional limitations. Our analysis reveals that while fabrication protocols and molecular synergy are well-defined in approximately 65% of the surveyed literature, critical functional data remain largely absent. Specifically, fewer than 15% of studies investigate hydro-stability in high-humidity environments or bio-interface behavior, creating a disconnect between laboratory success and industrial application. We identify that current research disproportionately prioritizes dry-state morphology over wet-state mechanical integrity. To bridge the gap between academic prototypes and industrial reality, this article moves beyond general recommendations to propose concrete experimental benchmarks, including specific targets for wet mechanical integrity (>1 MPa), regulatory solvent compliance (<50 ppm), and scalable throughput. This article concludes by providing a strategic roadmap to bridge these gaps, arguing that future research must pivot from simple morphological characterization to developing "smart response" mechanisms and "green manufacturing" protocols to ensure commercial viability. Bridge (graph theory) ; Petrochemical ; Characterization (materials science) ; Sustainability ; Scalability ; Nanofiber Electrospun Nanofibers in Biomedical Applications ; Nanocomposite Films for Food Packaging ; biodegradable polymer synthesis and properties
Authors: Kazuhiro Nakamura | Kenshiro Matsuda | Kosuke Anraku | Keiko Yamaoka | Taisuke Matsumoto | Fumitaka Ishiwari | Wataru Ota | Emiko Fujiwara | Tohru Sato | Yoshitaka Inoue | Soh Kushida | Yohei Yamamoto | Takuya Hosokai | Ken Albrecht
Source: ChemRxiv (article, 2026-01-28)
Field: Chemistry — Organic Chemistry

Luminescent Donor-Acceptor Radical with Propeller Chirality: Bright and Photostable Red Circularly Polarized Luminescence and Whispering Gallery Mode Resonance Luminescent radicals are an emerging class of materials for organic electronics, bioimaging, and quantum applications. Circularly polarized luminescence (CPL) from luminescent radicals with propeller-type chirality remains challenging because it is difficult to simultaneously achieve high photoluminescence quantum yield (PLQY), high stability, and high racemization barriers. A series of brominated chiral luminescent radicals, CzTTBrM, 2CzTTBrM, and 3CzTTBrM, was obtained by attaching carbazole donors to TTBrM. The donor-acceptor-type design induces red to near-infrared (NIR) emission via charge transfer (CT) excited states with remarkably high PLQY (up to 74%) and high photostability. The new radicals possess high racemization barriers (ΔG ‡ (353K) 27.9-29.1 kcal/mol), allowing the isolation of enantiopure compounds at room temperature. The enantiopure radicals exhibit CPL with broad emission across the red to NIR range (650-800 nm) and display BCPL values (0.19-0.37), nearly two orders of magnitude higher than that of TTBrM (BCPL = 0.007). Moreover, doping these radicals into polystyrene microspheres produces whispering gallery mode (WGM) resonances, marking the first observation of WGM emission from luminescent radicals. This strategy establishes a versatile platform for integrating spin, chirality, and luminescence, offering new opportunities for applications in electroluminescence, bioimaging, and quantum photonics. Luminescence ; Enantiopure drug ; Radical ; Quantum yield ; Racemization ; Excited state ; Photoluminescence ; Chirality (physics) Synthesis and Properties of Aromatic Compounds ; Magnetism in coordination complexes ; Radical Photochemical Reactions
Authors: Yizhe Liu | Xuefeng Zhou | Guijian Pang | Chao Gu | Guozhu Song | Jian Chen | Jesús Carrete | Leiming Fang | Shanmin Wang | Wu Li | Bo Sun
Source: National Science Review (article, 2026-02-13)
Field: Materials Science — Materials Chemistry

High thermal conductivity in metallic <i>θ</i> -TaN single crystals Abstract Metallic materials are critical in integrated circuits as they not only deliver power but also dissipate heat. However, their performance is constrained as metals’ thermal conductivity is capped with a value of about 400 W m-1 K-1. Here, we shatter this long-standing ceiling by high-pressure synthesis of the metallic hexagonal tantalum mononitride (θ-TaN) single crystal with ultrahigh thermal conductivity. The θ-TaN single crystal exhibits a room-temperature thermal conductivity of 502 W m-1 K-1, exceeding the conventional upper limit for metallic thermal conductors, despite the presence of a substantial concentration of nitrogen vacancies. Our findings identify a clear pathway for further enhancing the thermal conductivity through minimizing vacancy concentration in θ-TaN. This work establishes θ-TaN as a highly promising candidate for advanced thermal management applications and introduces a new approach for designing metallic conductors to surpass conventional limits. Thermal conductivity ; Tantalum ; Thermal ; Electrical conductor ; Metal ; Single crystal ; Thermal conduction Thermal properties of materials ; Metal and Thin Film Mechanics ; Machine Learning in Materials Science
Authors: Xiuzhen Wang | Yian Chen | Xiaofeng Yi | Shumei Chen | Jian Zhang
Source: Chemical Science (article, 2026-01-01)
Field: Materials Science — Materials Chemistry

Record-large indium-oxo clusters: synthesis, hierarchical assembly, and efficient optical limiting High-nuclearity indium-oxo clusters (InOCs) represent critical molecular models for understanding indium oxide (In<sub>2</sub>O<sub>3</sub>) nanoparticles, yet their rational synthesis remains a formidable challenge. Herein, we report a dual-ligand strategy to access bixbyite-type In<sub>15</sub>-oxo clusters-the largest discrete indium-oxo cores reported to date. Their strategically labile carboxylate sites enable facile functionalization to generate InOC-38, InOC-39, and InOC-40. Notably, the In<sub>15</sub> core serves as the highest-nuclearity secondary building unit (SBU) within the InOC family, which can be extended into an In<sub>30</sub> dimer (InOC-41) <i>via</i> a cluster-docking strategy or hierarchically assembled into one-dimensional chains (InOC-42) using multidentate 6-hydroxynicotinate linkers. These architectures, featuring π-conjugated ligands, heavy metals, and dense intermolecular interactions, exhibit exceptional optical limiting (OL) performance. InOC-38 and InOC-41 demonstrate record metrics (<i>T</i> <sub>min</sub> = 0.11 and 0.17; <i>F</i> <sub>OL</sub> = 0.275 and 0.408 J cm<sup>-2</sup>), surpassing state-of-the-art cluster-based materials. Furthermore, their processability into flexible transparent films underscores significant practical potential for optical applications. Limiting ; Indium ; Rational design ; Oxide ; Scheme (mathematics) Quantum Dots Synthesis And Properties ; Nanocluster Synthesis and Applications ; Inorganic Chemistry and Materials
Authors: Mohammed G. Kotp | Shiao-Wei Kuo
Source: Chemical Science (article, 2026-01-01)
Field: Materials Science — Materials Chemistry

Engineering porous organic polymers for enhanced CO <sub>2</sub> capture: from synthesis to implementation The escalating concentration of atmospheric carbon dioxide (CO 2 ) necessitates the development of efficient and scalable carbon capture technologies. Polymer ; Porosity ; Carbon dioxide ; Carbon fibers ; Porous medium Covalent Organic Framework Applications ; Carbon Dioxide Capture Technologies ; Carbon dioxide utilization in catalysis
Authors: Polina Yaltseva | Benjamin Wittwer | Daniel Leitner | F. R. Neururer | Frank Tambornino | Alexander Schmidt | Dominik Munz | O. S. Wenger | Stephan Hohloch
Source: Chemical Science (article, 2026-01-01)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Interplay between ligand field strength and the nephelauxetic effect in chromium( <scp>iii</scp> ) complexes with anionic amido ligands Incorporation of the nephelauxetic effect into ligand design enabled red-shifting of spin-flip transitions of Cr<sup>III</sup> and Mn<sup>IV</sup> complexes into the near-infrared region. Using carbazolide complexes as a model, we present a strategy for tuning the ratio of ligand field strength to the Racah parameter <i>B</i> by combining a covalent carbazolide core with variable σ-donor ligand "side arms." Substitution of pyridine, as in [Cr(L<sup>py</sup>)<sub>2</sub>]<sup>+</sup> ([L<sup>py</sup>]<sup>-</sup> = 3,6-di-<i>tert</i>-butyl-1,8-di(pyridin-2-yl)carbazol-9-ide), with stronger σ-donors such as <i>N</i>-heterocyclic or mesoionic carbenes in [Cr(L<sup>NHC</sup>)<sub>2</sub>]<sup>+</sup> or [Cr(L<sup>MIC</sup>)<sub>2</sub>]<sup>+</sup> ([L<sup>NHC</sup>]<sup>-</sup> = 3,6-di-<i>tert</i>-butyl-1,8-bis(imidazolin-2-yliden-1-yl)carbazolide and [L<sup>MIC</sup>]<sup>-</sup> = 3,6-di-<i>tert</i>-butyl-1,8-bis(4,5,6,7-tetrahydro-2<i>H</i>-[1,2,3]triazolo[1,5-<i>a</i>]pyridin-2-yl)-carbazol-9-ide) increased the ligand field strength from 17 500 to 24 400 cm<sup>-1</sup>, with only a modest rise in B from 550 to 600 cm<sup>-1</sup>. This balance favors near-infrared spin-flip transitions while extending their excited-state lifetimes. Despite these advances, carbazolide-based ligands exhibit also drawbacks, including low-lying charge-transfer states and geometric distortions, which limit lifetimes and prevent emission, contrasting with other near-infrared-emissive Cr<sup>III</sup> systems. Additionally, we demonstrate an approach for estimating energies of dark, low-energy spin-flip states in Cr<sup>III</sup> complexes <i>via</i> photoinduced electron transfer and Rehm-Weller analysis. Our results offer guidance on balancing ligand field strength and metal-ligand bond covalency to optimize the photophysical and photochemical properties of first-row transition metal complexes. Ligand field theory ; Ligand (biochemistry) ; Spectrochemical series ; Field (mathematics) Magnetism in coordination complexes ; Metal complexes synthesis and properties ; Lanthanide and Transition Metal Complexes
Authors: Jing Qiu | Yan Wang | Guofeng Wan | Zilong Bing | Huiru Liu | Bing Li | Cong Yu | Jinyu Zhu | Donal D. C. Bradley | Jingsong Huang | Lixin Wu | Fenghong Li
Source: npj Clean Energy (article, 2026-01-24)
Field: Materials Science — Materials Chemistry

Enhancing the performance of organic solar cells and polymer light emitting diodes via a novel giant polyoxomolybdate bifunctional interlayer material The giant polyoxomolybdate [(NH4)42[ $${\text{Mo}}_{72}^{{\rm{VI}}}{\text{Mo}}_{60}^{{\rm{V}}}$$ O372(CH3COO)30(H2O)72] {Mo132} has been little used for optoelectronic device applications. In this paper we demonstrate that thin films of {Mo132} and surfactant-encapsulated {Mo132}, namely {Mo132}-tetraoctyl ammonium (TOA) can, respectively, upshift and downshift the work functions of a variety of electrode materials, including Al, Ag and ITO, by forming suitable interface dipoles. {Mo132}-TOA used as a cathode interlayer (CIL) yields a power conversion efficiency of 18% for poly[(2,6-(4,8-bis(5-(2-ethylhexyl)-4-fluorothiophen-2-yl)-benzo[1,2-b:4,5-b’]dithiophene))-alt-(5,5-(1’,3’-di-2-thienyl-5’,7’-bis(2-ethylhexyl)benzo[1’,2’-c:4’,5’-c’]dithiophene-4,8-dione))] : 2,2’-((2Z,2’Z)-((12,13-bis(2-ethylhexyl)-3,9-(2-butyloctyl)-12,13-dihydro-[1,2,5]thiadiazolo[3,4-e]thieno[2”,3’‘:4’,5’]thieno[2’,3’:4,5]pyrrolo[3,2-g]thieno[2’,3’:4,5]thieno[3,2-b]indole-2,10-diyl)bis(methanylylidene))bis(5,6-difluoro-3-oxo-2,3-dihydro-1H-indene-2,1-diylidene)) dimalononitrile (PM6 : L8-BO) based organic solar cells (OSCs) and a current efficiency of 15.24 cd/A in Super Yellow based polymer light-emitting diodes. In addition, OSCs using both {Mo132} as anode interlayer (AIL) and {Mo132}-TOA as CIL provide improved stability relative to reference devices with traditional PEDOT:PSS as AIL and poly(9,9-bis(3’-(N,N-dimethyl)-N-ethylammoinium-propyl-2,7-fluorene)-alt-2,7-(9,9-dioctylfluorene))dibromide (PFN-Br) as CIL. {Mo132} thereby serves as an effective bifunctional interlayer material to optimize organic optoelectronic device performance, enhancing power conversion and light emission efficiencies and increasing lifetime. Cathode ; Bifunctional ; Energy conversion efficiency ; Organic solar cell ; Anode ; Polymer ; OLED ; Diode Polyoxometalates: Synthesis and Applications ; Metalloenzymes and iron-sulfur proteins ; Metal-Organic Frameworks: Synthesis and Applications
Authors: Charbel D. Assaf | Vladimir V. Zhivonitko | Amaia Vicario | Alexander A. Auer | Simon B. Duckett | Jan‐Bernd Hövener | Andrey N. Pravdivtsev
Source: ArXiv.org (article, 2026-01-07)
Field: Chemistry — Spectroscopy

Reshaping and quantifying inter- and intramolecular exchange in signal amplification by reversible exchange of pyruvate Signal amplification by reversible exchange (SABRE) is a nuclear spin hyperpolarization technique in which the transient interaction of parahydrogen (pH2) and a target substrate with an iridium complex leads to polarization transfer to the substrate. Here, we use a parahydrogen-enhanced, spin-selective NMR method to investigate pyruvate binding, which is combined with exchange-model fitting and DFT calculations. Our study reveals several key findings that reshape the current understanding of SABRE: (a) intramolecular hydrogen exchange of the hydrides, occurring faster than pyruvate or H2 loss; (b) the discovery of a novel stable H2-IrImes-DMSO2-pyruvate complex; and (c) the crucial role of counterions, here Na+, in Ir-pyruvate binding. Previously unknown insights into complex kinetics and distributions as a function of temperature, [DMSO], [pyruvate], and hydrogen pressure are presented. The methods demonstrated here, exemplified by SABRE, provide a framework that is expected to guide future research in the field. Hyperpolarization (physics) ; Intramolecular force ; Spin isomers of hydrogen ; Kinetics ; Polarization (electrochemistry) ; Hydrogen Advanced NMR Techniques and Applications ; NMR spectroscopy and applications ; Magnetism in coordination complexes
Authors: Олександр Вікторович Каліберда | Євген В'ячеславович Зарудницький
Source: The Scientific Issues of Ternopil Volodymyr Hnatiuk National Pedagogical University Series pedagogy (article, 2026-04-07)
Field: Chemistry — Organic Chemistry

Масштабований синтез 4-функціоналізованих ізоксазолідинів та піразолідинів A practical and scalable cyclization method for the preparation of C4-functionalized isoxazolidine and pyrazolidine building blocks is described. The methodology is based on the use of commercially available 1,3-dihalide and protected hydroxylamine or hydrazine derivatives under unified NaH/DMF conditions, enabling direct assembly of both N,O- and N,N-heterocycles. The process is operationally robust and successfully implemented on an over 100 g scale. The oxidative conversion of exocyclic alkene intermediates made it possible to obtain isoxazolidin-4-one and pyrazolidin-4-one scaffolds. The resulting pyrazolidine derivatives demonstrate a broad tolerance to reductive and oxidative conditions, whereas isoxazolidines exhibit certain stability limitations. The combination of the modular C4 diversification, orthogonal nitrogen protection, and preparative scalability transforms these saturated heterocycles into practically accessible building blocks for medicinal chemistry applications. Hydroxylamine ; Alkene ; Hydrazine (antidepressant) ; Oxidative phosphorylation ; Modular design Catalytic C–H Functionalization Methods ; Synthesis of heterocyclic compounds ; Chemical Synthesis and Analysis
Authors: Kenji Mishiro
Source: European Journal of Organic Chemistry (article, 2026-02-08)
Field: Chemistry — Organic Chemistry

Light‐Induced Reactions of Small‐Membered Cyclic Carbonyl Compounds Carbonyl group have long been recognized as one of the most prominent photoreactive groups, and a wide range of photochemical transformations involving carbonyl‐containing compounds has been developed. Among them, cyclic carbonyl compounds such as cyclopropenone and cyclobutenedione, exhibit distinctive physical properties and chemical reactivity attributed to their cyclic structures and inherent ring strain. This review highlights recent advances in the synthesis and photochemical reactivity of these cyclic carbonyl compounds. These compounds undergo photolysis upon direct excitation with ultraviolet or visible light, and in some cases, through indirect excitation mediated by photocatalysts. Notably, cyclopropenones and cyclobutenediones undergo efficient photolysis to yield alkynes and bisketenes, respectively. The resulting photogenerated species exhibit unique reactivity profiles that are strongly influenced by their substituents, enabling diverse applications in synthetic chemistry and chemical biology. This review aims to the advancement of scientific research employing these structurally and functionally unique photoreactive motifs. Reactivity (psychology) ; Photodissociation ; Yield (engineering) ; Ring (chemistry) ; Ultraviolet ; Chemical synthesis ; Carbonyl group Radical Photochemical Reactions ; Synthesis and Reactivity of Heterocycles ; Click Chemistry and Applications
Authors: Haoxiang Wu | Xiangbing Qi
Source: Beilstein Journal of Organic Chemistry (article, 2026-01-07)
Field: Chemistry — Inorganic Chemistry

Total synthesis of natural products based on hydrogenation of aromatic rings Arenes and heteroarenes are easily available building blocks in organic chemistry, and saturation the aromatic ring facilitates synthetic chemists to efficiently synthesize natural products with complex three-dimensional structures. Recent advances in catalyst and ligand design have enabled unprecedented progress in the catalytic hydrogenation of (hetero)aromatic systems. Quinoline, isoquinoline, pyridine, and related substrates can now be reduced with high efficiency and stereoselectivity, providing efficient access to saturated and partially saturated architectures vital to synthetic chemistry. Furthermore, catalytic asymmetric aromatic hydrogenation has facilitated the asymmetric total synthesis of complex natural products and pharmaceutical agents. This review highlights recent advances in catalytic (hetero)arene hydrogenation, with a focus on its application in natural product synthesis. Total synthesis ; Catalysis ; Natural product ; Ring (chemistry) ; Catalytic hydrogenation ; Ligand (biochemistry) Asymmetric Hydrogenation and Catalysis ; Catalytic C–H Functionalization Methods ; Catalytic Cross-Coupling Reactions
Authors: Jisung Seo | Soo Ho Choi | Q. Chen | Seunghee Park | Il Cheol Jeon | Hyunseok Kim
Source: Advanced Functional Materials (article, 2026-02-08)
Field: Materials Science — Materials Chemistry

Crystal Engineering Pathways Above, Below, and Between 2D Materials ABSTRACT Two‐dimensional (2D) materials have opened new pathways for 3D thin‐film crystal engineering by overcoming the intrinsic limitations of conventional heteroepitaxy. Their atomically thin van der Waals surfaces enable interfacial interactions fundamentally distinct from those in 3D material systems, allowing the realization of crystal lattices, strain states, defect properties, and reconfigurable architectures unattainable with conventional epitaxy. Despite this promise, a critical gap remains in understanding and harnessing the full potential of 2D‐mediated crystal engineering. Most studies have focused on thin film growth above 2D layers for enhancing the crystallinity and heterogeneous integrability, whereas the equally powerful regimes below and between 2D materials remain largely unexplored. Here, we introduce crystal engineering pathways spanning ‘above (3D on 2D)’, ‘below (3D beneath 2D)’, and ‘between (3D confined within 2D layers)’ 2D layers, highlighting how these regimes collectively enable new crystals and interfaces largely inaccessible through conventional growth techniques. Through a comprehensive analysis of underlying mechanisms, experimental demonstrations, and remaining challenges, we provide a perspective on unlocking the full potential of 2D‐mediated crystal engineering for thin‐film growth and extending it into new regimes of mixed‐dimensional heterostructures. Strain engineering ; Crystallinity ; Crystal (programming language) ; van der Waals force ; Crystal engineering ; Crystal growth ; Thin film 2D Materials and Applications ; Electronic and Structural Properties of Oxides ; Graphene research and applications
Authors: Nikolay Mukhin | A. Dietzel | VADIM ISSAKOV | Liubov Bakhchova
Source: Materials Chemistry Frontiers (article, 2026-01-01)
Field: Materials Science — Polymers and Plastics

Electrochemical QCM-D for insights into organic mixed ionic–electronic conductors and transistors (OECTs) Review shows how electrochemical quartz crystal microbalance with dissipation monitoring (EQCM-D) enables multifaceted studies of organic mixed ionic–electronic conductors (OMIECs), supporting organic electrochemical transistor (OECT) development. Electrochemistry ; Electrical conductor ; Transistor ; Quartz crystal microbalance ; Dissipation ; Conductive polymer ; Crystal (programming language) Conducting polymers and applications ; Ionic liquids properties and applications ; Organic and Molecular Conductors Research
Authors: Gonzalo J Villegas Rodríguez | Evan O. Romero | Jonathan C. Perkins | Diego N Rojas | Maximilian S Hrigora | Alison R H Narayan
Source: ChemRxiv (article, 2026-01-22)
Field: Chemistry — Inorganic Chemistry

A Library of Iron and α-Ketoglutarate Dependent Dioxygenases Enables the Synthesis of Six Fungal Natural Products Achieving selective oxygenation chemistry offers a powerful strategy for streamlining routes to complex target molecules, yet the development of site-selective C-H functionalization reactions remain a significant challenge. Several enzyme families are capable of catalyzing C-H hydroxylation reactions and, in principle, provide an attractive solution for achieving selective oxidative transformations. In practice, however, the difficulty of identifying a biocatalyst suited to a specific synthetic target often renders chemoenzymatic strategies impractical. For example, biosynthetic enzymes such as CitB and ClaD can mediate site-selective benzylic hydroxylation, enabling access to select natural products that share structural features with their native substrates. Nonetheless, such approaches typically lack generality and do not readily extend to broader collections of natural products. Here, we explore the previously unstudied natural sequence space of the hydroxylases CitB and ClaD to generate a bespoke panel of uncharacterized enzymes that collectively expand the scope of this chemoenzymatic strategy. Development of this curated biocatalyst panel enabled the synthesis of six natural products, demonstrating that assembling this enzyme collection effectively derisks the use of biocatalysis in synthetic campaigns. Biocatalysis ; Synthetic biology ; Bespoke ; Hydroxylation ; Enzyme ; Natural (archaeology) ; Directed evolution ; Oxidative enzyme Metal-Catalyzed Oxygenation Mechanisms ; Cyclopropane Reaction Mechanisms ; Microbial Natural Products and Biosynthesis