jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Yangyang Li | Jingyi Yang | Botao Qiao | Tao Zhang
Source: CHINESE JOURNAL OF CATALYSIS (CHINESE VERSION) (article, 2025-02-01)
Field: Materials Science — Materials Chemistry

Size-dependent strong metal-support interaction modulation of Pt/CoFe2O4 catalysts Catalysis ; Modulation (music) ; Metal ; Materials science ; Chemical engineering ; Chemistry ; Metallurgy ; Physics ; Engineering ; Organic chemistry Catalytic Processes in Materials Science ; Catalysis and Hydrodesulfurization Studies ; Nanomaterials for catalytic reactions
Authors: Jun‐Jie Xing | Yanli Zhang | Shu-xin Feng | Kemeng Ji
Source: New Carbon Materials (review, 2025-04-01)
Field: Materials Science — Biomaterials

A review of the use of electrospinning in the preparation of flexible lithium-ion batteries Materials science ; Electrospinning ; Lithium (medication) ; Ion ; Chemical engineering ; Nanotechnology ; Composite material ; Polymer ; Organic chemistry ; Engineering Electrospun Nanofibers in Biomedical Applications ; Supercapacitor Materials and Fabrication ; Advanced Sensor and Energy Harvesting Materials
Authors: Qiu‐Jin Wu | Shasha Geng | A. Qiao | Siyu Wang | Jinping Yuan | Yun He | Feng Zhang
Source: Journal of the American Chemical Society (article, 2025-10-07)
Field: Chemistry — Inorganic Chemistry

Controllable Reductive Alkylation of Monodentate Phosphine Ligands under Iron Catalysis Unsymmetrical aryldialkylphosphine ligands, characterized by their electron-rich and sterically hindered nature, play a pivotal role in the fine-tuning of transition-metal catalysts during catalytic processes. However, their synthesis remains challenging via conventional approaches. Herein, we report an iron-catalyzed reductive cross-coupling of aryldialkylphosphine ligands with alkyl bromides under mild conditions and successfully extend this strategy to diarylalkylphosphines. Utilizing a well-designed iron/diboron catalytic system that promotes the selective cleavage of C(alkyl)-P bonds via the alkyl substituent exchange, this method enables the efficient transformation of readily available monophosphines into structurally diverse tertiary phosphine ligands. The protocol accommodates late-stage functionalization of bioactive phosphines and offers a versatile platform for the diversification of sterically hindered ligands, including Buchwald-type scaffolds, thereby highlighting its utility in transition-metal-catalyzed coupling reactions. Mechanistic studies suggest that borylation of the C(alkyl)-P bond governs the selective C-P bond cleavage, driving the reductive alkylation of phosphines. These findings not only deepen our understanding of iron-catalyzed reductive coupling processes but also inspire the development of new carbon-heteroatom bond-forming strategies using iron/diboron catalysis. Reductive elimination ; Phosphine ; Alkylation ; Steric effects ; Catalysis ; Borylation ; Alkyl ; Denticity Asymmetric Hydrogenation and Catalysis ; Chemical Synthesis and Analysis ; Catalytic C–H Functionalization Methods
Authors: Yanjian Wang | Hao Xu | Yanan Zheng | Liangmin Yu
Source: Composites Communications (article, 2025-06-06)
Field: Materials Science — Electronic, Optical and Magnetic Materials

NiFe-PBA/biomass-derived carbon lightweight composites with excellent electromagnetic wave absorption capacity Materials science ; Composite material ; Biomass (ecology) ; Absorption (acoustics) ; Carbon fibers ; Absorption capacity ; Electromagnetic radiation ; Composite number ; Chemical engineering ; Engineering ; Optics Electromagnetic wave absorption materials ; Advanced Antenna and Metasurface Technologies ; Flame retardant materials and properties
Authors: Liping Zhang | Li Xu | Xiting Zhang | Yitao Li | Hao-Ling Lan | Si‐Chao Liu | Qing‐Yuan Yang
Source: Inorganic Chemistry (article, 2025-01-14)
Field: Chemistry — Inorganic Chemistry

Pore Chemical Modification of Bimetallic Coordination Networks for Coal-Bed Methane Purification under Humid Conditions The recycling of low-concentration coal-bed methane (CBM) is environmentally beneficial and plays a crucial role in optimizing the energy mix. In this work, we present a strategy involving pore chemical modification to synthesize a series of bimetallic diamond coordination networks, namely CuIn(ina)<sub>4</sub>, CuIn(3-ain)<sub>4</sub>, and CuIn(3-Fina)<sub>4</sub> (where ina = isonicotinic acid, 3-ain = 3-amino-isonicotinic acid, and 3-Fina = 3-fluoroisonicotinic acid). Among these, the amino-functionalized CuIn(3-ain)<sub>4</sub> exhibits excellent CH<sub>4</sub> adsorption capacity (1.71 mmol g<sup>-1</sup>) and CH<sub>4</sub>/N<sub>2</sub> selectivity (7.5) due to its optimal pore size and chemical environment, establishing it as a new benchmark material for CBM separation. Dynamic breakthrough experiments confirm the exceptional CH<sub>4</sub>/N<sub>2</sub> separation performance of CuIn(3-ain)<sub>4</sub>. Notably, CuIn(3-ain)<sub>4</sub> demonstrates excellent stability under wet conditions and maintains outstanding separation performance even in high-humidity environments. Additionally, theoretical simulations provide valuable insights into how selective adsorption performance can be fine-tuned by manipulating the pore size and geometry. Regeneration tests and cycling evaluations further underscore the remarkable potential of CuIn(3-ain)<sub>4</sub> as a highly efficient adsorbent for the separation of CBM. Chemistry ; Bimetallic strip ; Methane ; Coal ; Chemical engineering ; Environmental chemistry ; Organic chemistry ; Catalysis Metal-Organic Frameworks: Synthesis and Applications ; Coal Properties and Utilization ; Methane Hydrates and Related Phenomena
Authors: Ya-Bo Xie | Dongsheng Yang | Ligang Bai | Jinwei Yang | Bo Gu | Mengting Liu | Qi Wang | Wang Wang | Wen‐Bo Liu | Heng Song
Source: Journal of the American Chemical Society (article, 2025-07-15)
Field: Chemistry — Inorganic Chemistry

Enantiodivergent Access to Acyclic Quaternary Stereocenters by Nitrilase-Catalyzed Desymmetrizing Hydrolysis of Malononitriles The desymmetrization of fully substituted carbons bearing a pair of enantiotopic functional groups represents a pragmatic approach to the synthesis of quaternary stereocenters. Prochiral α,α-disubstituted malononitriles are of particular interest due to the simplicity of their preparation, the programmable introduction of functional substituents, and the high synthetic value of the resulting enantioenriched nitriles. Nevertheless, the asymmetric catalytic transformation of these malononitriles to all-carbon quaternary stereocenters represents a significant challenge. Here, we present a nitrilase (<i>Ss</i>NIT)-catalyzed desymmetrizing hydrolysis of α,α-disubstituted malononitriles, resulting in the production of enantioenriched α-cyanocarboxylic acids containing acyclic all-carbon quaternary stereocenters in good yields (up to 99% yield) with excellent enantioselectivities (up to 99% ee). By fine-tuning and reshaping the substrate pockets of the enzyme through Focused Rational Iterative Site-directed Mutagenesis (FRISM), we successfully engineered a pair of enantiocomplementary nitrilases (<b>M1</b> and <b>M3</b>), thereby providing a divergent synthetic route to assemble both <i>R</i> and <i>S</i> configurations of the quaternary stereocenters. The synthetic robustness and scalability of this strategy were further validated through gram-scale reactions using whole-cell biocatalysts, followed by derivatization into diverse enantioenriched noncanonical amino acid derivatives bearing quaternary stereocenters. This study highlights the potential of biocatalysis in facilitating the efficient synthesis of quaternary centers and their enantiomers through the rational engineering of enzymes. Chemistry ; Stereocenter ; Catalysis ; Nitrilase ; Hydrolysis ; Quaternary ; Organic chemistry ; Combinatorial chemistry ; Medicinal chemistry ; Enantioselective synthesis Asymmetric Hydrogenation and Catalysis ; Enzyme Catalysis and Immobilization ; Chemical Synthesis and Analysis
Authors: Lavleen Mader | Jeffrey W. Keillor
Source: RSC Medicinal Chemistry (article, 2025-01-01)
Field: Chemistry — Organic Chemistry

Methods for kinetic evaluation of reversible covalent inhibitors from time-dependent IC<sub>50</sub> data Potent reversible covalent inhibitors are often slow in establishing their covalent modification equilibrium, resulting in time-dependent inhibition. While these inhibitors are commonly assessed using IC<sub>50</sub> values, there are no methods available to analyze their time-dependent IC<sub>50</sub> data to provide their inhibition (<i>K</i> <sub>i</sub> and ) and covalent modification rate (<i>k</i> <sub>5</sub> and <i>k</i> <sub>6</sub>) constants, leading to difficulty in accurately ranking drug candidates. Herein, we present an implicit equation that can estimate these constants from incubation time-dependent IC<sub>50</sub> values and a numerical modelling method, EPIC-CoRe, that can fit these kinetic parameters from pre-incubation time-dependent IC<sub>50</sub> data. The application of these new methods is demonstrated by the evaluation of a known inhibitor, saxagliptin, providing results consistent with those obtained by other known methods. This work introduces two new practical methods of evaluation for time-dependent reversible covalent inhibitors, allowing for rigorous characterization to enable the fine-tuning of their binding and reactivity. Covalent bond ; Chemistry ; IC50 ; Enzyme inhibition ; Combinatorial chemistry ; Enzyme ; Biochemistry ; Organic chemistry ; In vitro Click Chemistry and Applications ; Chemistry and Chemical Engineering ; Chemical Synthesis and Analysis
Authors: Sanjam Chandna | Tatyana L. Povolotsky | Chuanxiong Nie | Sophia Schwartz | Stefanie Wedepohl | Elisa Quaas | Kai Ludwig | Yulia Boyakova | Sumati Bhatia | Klas Meyer | Jana Falkenhagen | Rainer Haag | Stephan Block
Source: ACS Applied Materials & Interfaces (article, 2025-01-29)
Field: Chemistry — Organic Chemistry

Lignin-Based Mucus-Mimicking Antiviral Hydrogels with Enzyme Stability and Tunable Porosity Mucus is a complex hydrogel that acts as a defensive and protective barrier in various parts of the human body. The rise in the level of viral infections has underscored the importance of advancing research into mucus-mimicking hydrogels for the efficient design of antiviral agents. Herein, we demonstrate the gram-scale synthesis of biocompatible, lignin-based virus-binding inhibitors that reduce waste and ensure long-term availability. The lignin-based inhibitors are equipped with sulfate moieties, which are known binding partners for many viruses, including SARS-CoV-2 and herpes viruses. In addition, cross-linking the synthesized inhibitors yielded hydrogels that mimicked native mucus concerning surface functionality and rheology. The degree of sulfation exhibits a very strong impact on the mesh size distribution of the hydrogels, which provides a new means to fine-tune the steric and electrostatic contributions of the virus-hydrogel interaction. This feature strongly impacts the sequestration capability of the lignin-based hydrogels, which is demonstrated by infection inhibition assays involving human herpes simplex virus 1, influenza A viruses, and the bacterium <i>Escherichia coli</i> (<i>E. coli</i>). These measurements showed a reduction in plaque-forming units (HSV-1) and colony-forming units (<i>E. coli</i>) by more than 4 orders of magnitude, indicating the potent inhibition by the lignin-based hydrogels. Materials science ; Self-healing hydrogels ; Lignin ; Porosity ; Mucus ; Chemical engineering ; Nanotechnology ; Composite material ; Polymer chemistry ; Organic chemistry ; Biology Carbohydrate Chemistry and Synthesis ; Glycosylation and Glycoproteins Research ; Analytical Chemistry and Chromatography
Authors: Youhao Wei | Haitao Cai | Conghao Wu | Yangyang Gao | Yuanyuan Zi | Jingzhi Wang | Yuhui Yang
Source: Advanced Functional Materials (article, 2025-07-30)
Field: Materials Science — Materials Chemistry

Photopolymerization‐Enabled Spiropyran/MOFs Hybrids: Phase‐Stable Fluorescent Films With Spatiotemporal Resolution and Anti‐Leakage Properties in Multilevel Encryption Systems Abstract Dynamic fluorescent films based on metal‐organic frameworks (MOFs) have emerged as promising candidates for information encryption, yet their practical implementation is hindered by critical challenges in fabrication reliability and performance control. Herein, a novel photopolymerization strategy is presented that synergistically integrates bis‐alkene functionalized spiropyran derivatives with fluorescent MOFs (Tb‐BABDC/Zr‐BABDC) through their intrinsic polymerizable ligand moieties, enabling the fabrication of leakage‐free polyMOF films with enhanced structural integrity. The resulting material simultaneously achieves structural integrity, mechanical flexibility, and time‐dependent fluorescence modulation spanning three emission states (green→yellow→red or blue→purple→red) through UV‐triggered fluorescence resonance energy transfer (FRET). Furthermore, by adjusting the ratio of MOFs and spiropyran, various photochromic behaviors can be achieved. Notably, the covalent immobilization of spiropyran within the photopolymerized matrix addresses three fundamental limitations of conventional physical blending methods: 1) Enhanced stability through covalent bonding prevents spiropyran leakage during operation cycles; 2) Improved phase compatibility eliminates interfacial segregation between organic and inorganic components; 3) Precise performance control allows precise control of spiropyran content and fine‐tunes the photo‐response behavior. The photopolymerized films maintained &gt;95% initial efficiency after 20 switching cycles. This methodology establishes a generalizable platform for developing robust dynamic fluorescent films, significantly advancing MOF‐based materials toward practical encryption applications. Materials science ; Spiropyran ; Fluorescence ; Photopolymer ; Encryption ; Leakage (economics) ; Nanotechnology ; Optoelectronics ; Photochromism ; Optics ; Polymer ; Computer science Photochromic and Fluorescence Chemistry ; Nanoplatforms for cancer theranostics ; Luminescence and Fluorescent Materials
Authors: C Soares | Aimée G. Jerônimo | Willams A. Albuquerque | K. M. Nalin de Silva | Marcelo Cairrão Araújo Rodrigues | Luciano C. Almeida | Pollyana Trigueiro | R. Peña‐Garcia
Source: Ceramics International (article, 2025-08-27)
Field: Materials Science — Materials Chemistry

pH-tuned synthesis of Zn0.97Dy0.03O nanostructures via co-precipitation: correlating morphology, photocatalytic, and antibacterial behavior Photocatalysis ; Materials science ; Morphology (biology) ; Nanostructure ; Precipitation ; Coprecipitation ; Chemical engineering ; Nanotechnology ; Catalysis ; Organic chemistry ; Chemistry ; Meteorology ZnO doping and properties ; Gas Sensing Nanomaterials and Sensors ; Copper-based nanomaterials and applications
Authors: Xiaoyan Liu | Borong Zhang | Zhaohui Shi | Guanghua Li | Lirong Zhang | Xin Liu | Yunling Liu
Source: Nano Research (article, 2025-05-26)
Field: Chemistry — Inorganic Chemistry

Small changes, big impacts: Ultra-fine tuning of ultra-microporous MOFs with remarkable C <sub>2</sub>H <sub>2</sub> selectivity The efficient separation of acetylene gas (C<sub>2</sub>H<sub>2</sub>) from C<sub>2</sub>H<sub>2</sub>/C<sub>2</sub>H<sub>4</sub> and C<sub>2</sub>H<sub>2</sub>/CH<sub>4</sub> is of great significance in various applications due to its high commercial value and numerous practical production scenarios. In this study, a series of ultra-microporous metal‒organic frameworks (MOFs) (<strong>JLU-MOF161-164</strong>) were prepared using mixed-ligand strategy. Drawing upon the principles of isoreticular chemistry, the precise control over ultra-microporous MOFs at a sub-1 Å scale was achieved through functionalization of ligands. The pore sizes decreased from 5.70 to 4.90, 4.24, and 3.74 Å for <strong>JLU-MOF161-164</strong>. This ultra-fine tuning in pore size significantly improved the selectivity towards C<sub>2</sub>H<sub>2</sub> for the series compounds. The C<sub>2</sub>H<sub>2</sub> adsorption capacity of <strong>JLU-MOF164</strong> reached 76.1 cm³ g⁻¹ at 298K. Notably, the selectivities for C<sub>2</sub>H<sub>2</sub>/C<sub>2</sub>H<sub>4</sub> (50/50) and C<sub>2</sub>H<sub>2</sub>/CH<sub>4</sub> (50/50) achieved remarkable values of 10.1 and 716.7, respectively. Compared with <strong>JLU-MOF161</strong>, these selectivities were enhanced by 3.6-fold and 9.9-fold, respectively. Breakthrough experiments further validated the outstanding dynamic separation performance and excellent cycling stability of <strong>JLU-MOF164</strong>, highlighting its significant potential for industrial application. Microporous material ; Selectivity ; Materials science ; Nanotechnology ; Chemical engineering ; Chemistry ; Organic chemistry ; Catalysis ; Composite material Metal-Organic Frameworks: Synthesis and Applications ; Magnetism in coordination complexes ; Catalysis and Oxidation Reactions
Authors: Xuan Liu | Zhiping Ren | Ying Zhang | Jungang Zhao | Tao Wan | Ziang Zhang | Miaomiao Hu | Miao Zhang | Yi Yang | Caiting Li
Source: Applied Catalysis B: Environmental (article, 2025-09-01)
Field: Materials Science — Materials Chemistry

Deciphering the mechanistic origins of geometric-site-dependent bimetallic superexchange interactions in spinel oxides to boost VOCs catalytic oxidation Bimetallic strip ; Spinel ; Superexchange ; Catalysis ; Oxide ; Chemistry ; Chemical engineering ; Inorganic chemistry ; Materials science ; Metallurgy ; Organic chemistry ; Ion ; Engineering Catalytic Processes in Materials Science ; Gas Sensing Nanomaterials and Sensors ; Catalysis and Oxidation Reactions
Authors: Yongshu Xie | Guangxian Su | Masatoshi Ishida | Bin Zhu | Glib Baryshnikov | Feng Sha | Chengjie Li | Xin‐Yan Wu | Hans Ågren | Hiroyuki Furuta | Qizhao Li
Source: Journal of the American Chemical Society (article, 2025-01-31)
Field: Materials Science — Materials Chemistry

Dimerization of Hexaphyrin with an Appendant Pyrrole Possessing a Reactive Site to Alleviate the Steric Hindrance Oxidative dimerization of π-conjugated molecules is a straightforward approach for effectively extending π-conjugation and absorption features. However, it is challenging to construct dimeric species of bulky π-conjugated frameworks because of the steric hindrances and/or poor regioselectivity. To address these issues, a pyrrole unit has been regioselectively appended to the α position of N-confused hexaphyrin (1.1.1.1.1.0) <b>1</b> by a facile acid-catalyzed condensation reaction, leading to the formation of pyrrole-appendant <b>2</b>. Subsequent oxidation of <b>2</b> yielded an inner-fused monomer <b>2F</b> and two fused dimeric species, namely, <b>(2F)</b><sub><b>2</b></sub><b>a</b> and <b>(2F)</b><sub><b>2</b></sub><b>b</b>. In contrast, oxidation of the corresponding Ni(II) complex <b>2Ni</b> generated dimer <b>(2Ni)</b><sub><b>2</b></sub>. Subsequent demetalation resulted in the formation of bipyrrole-linked freebase dimer <b>(2)</b><sub><b>2</b></sub>, which could chelate Ni(II) and Cu(II) ions to furnish complexes <b>(2Ni)</b><sub><b>2</b></sub> and <b>(2Cu)</b><sub><b>2</b></sub>, respectively. In comparison to the fused dimeric species <b>(2F)</b><sub><b>2</b></sub><b>a</b> and <b>(2F)</b><sub><b>2</b></sub><b>b</b>, the nonfused dimer <b>(2)</b><sub><b>2</b></sub> and its complexes <b>(2Ni)</b><sub><b>2</b></sub> and <b>(2Cu)</b><sub><b>2</b></sub> exhibit diminished local aromaticity, narrowed HOMO-LUMO gaps, and a red-shifted absorption profile that extends up to 2200 nm. These findings underscore a potent strategy for creating expanded porphyrin dimers, wherein the aromaticity and near-infrared absorption can be fine-tuned by incorporating an appendant pyrrole unit. Chemistry ; Pyrrole ; Steric effects ; Dimer ; Conjugated system ; Aromaticity ; Porphyrin ; Monomer ; HOMO/LUMO ; Regioselectivity ; Photochemistry ; Molecule ; Stereochemistry ; Organic chemistry ; Catalysis ; Polymer Porphyrin and Phthalocyanine Chemistry ; Synthesis and Properties of Aromatic Compounds ; Luminescence and Fluorescent Materials
Authors: Trinanjan Dey | Dundappa Mumbaraddi | Razieh Firouzi-Haji | Dmitry Vrublevskiy | Z. Lin | A. Meldrum | Arthur Mar
Source: Journal of the American Chemical Society (article, 2025-08-07)
Field: Materials Science — Materials Chemistry

Rare-Earth Substitution of La<sub>3</sub>Si<sub>2</sub>S<sub>8</sub>I for Efficient and Color-Tunable Phosphor Converted White Light Emitting Diodes Mixed-anion compounds enable properties to be controlled to a greater degree by chemical substitution than single-anion compounds. La<sub>3</sub>Si<sub>2</sub>S<sub>8</sub>I was investigated as a host to develop phosphors based on solid solutions (La<sub>1-<i>x</i></sub><i>RE</i><sub><i>x</i></sub>)<sub>3</sub>Si<sub>2</sub>S<sub>8</sub>I (<i>RE</i> = Ce, Pr, Tb, Dy, Ho; <i>x</i> = 0-0.33) and (La<sub>1-<i>x</i>-<i>y</i></sub>Ce<sub><i>x</i></sub><i>RE</i><sub><i>y</i></sub>)<sub>3</sub>Si<sub>2</sub>S<sub>8</sub>I (<i>RE</i> = Tb, Dy; <i>x</i>, <i>y</i> = 0-0.33) that exhibit wide color tunability and white emission. Upon excitation with a 364 nm UV laser source, the phosphors emit through a down-conversion process over a wide visible color gamut. Depending on the <i>RE</i><sup>3+</sup> concentration, the spectra featured broad emission (cyan for Ce<sup>3+</sup>) or sharp 4f-4f emission peaks (red for Ho<sup>3+</sup>; green for Tb<sup>3+</sup>; cyan-green and red for Pr<sup>3+</sup>; yellow and cyan for Dy<sup>3+</sup>) which can be fine-tuned to a wider gamut. The cosubstituted (La<sub>1-<i>x</i>-<i>y</i></sub>Ce<sub><i>x</i></sub><i>RE</i><sub><i>y</i></sub>)<sub>3</sub>Si<sub>2</sub>S<sub>8</sub>I phosphors showed even more intense photoluminescence and wider color palettes within the cyan to green regions (Ce<sup>3+</sup>-Tb<sup>3+</sup>) and cool to warm white (Ce<sup>3+</sup>-Dy<sup>3+</sup>). The photometric parameters were appropriate for backlighting display and near UV-pumped phosphor-converted white light-emitting diodes (pc-wLEDs). Photoluminescence decay profiles follow biexponential behavior with lifetimes ranging from a few ns (for Ce<sup>3+</sup>) to 3-450 μs (for other <i>RE</i><sup>3+</sup>). Most of the optimized phosphors were moderately stable at 80-100 °C before the onset of thermal quenching effects. They gave absolute quantum yields up to 50%, which are favorable for efficient energy conversion. Prototype pc-wLEDs fabricated from a blend of three phosphors or from single-phase phosphors showed promising performance. Phosphor ; Chemistry ; White light ; Substitution (logic) ; Diode ; Rare earth ; Light-emitting diode ; Optoelectronics ; Mineralogy Luminescence Properties of Advanced Materials ; Perovskite Materials and Applications ; Advanced Photocatalysis Techniques