jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Giacomo Romolini | Hiroki Kanazawa | Christian Brinch Mollerup | Mikkel Baldtzer Liisberg | Simon Wentzel Lind | Zhiyu Huang | Cecilia Cerretani | Jiro Kondo | Tom Vosch
Source: Small Structures (article, 2025-03-17)
Field: Materials Science — Materials Chemistry

Shining Bright at 960 nm: A 28‐Silver‐Atom Nanorod Stabilized by DNA Fluorescence imaging is a key tool in biological and medical sciences. Despite the potential for increased imaging depth in the near‐infrared range, the limited availability of bright emitters hinders its widespread implementation. In this work, a DNA‐stabilized silver nanocluster (DNA–AgNC) with bright emission at 960 nm in solution is presented, which redshifts further to 1055 nm in the solid and crystalline states. The atomic structure, composition and charge of this DNA–AgNC are determined by combining single‐crystal X‐ray diffraction and electrospray ionization–mass spectrometry. This unique atomically precise silver nanocluster consists of 28 silver atoms, of which are neutral (Ag 28 16+ ), arranged in a rodlike shape, and measures just over 2 nm in length. Interestingly, differences are observed in the number of chlorido ligands between the solution and crystalline states, highlighting the important but not yet fully understood role of chlorides in fine‐tuning the optical properties of this class of emitters. The structure of this silver nanorod, along with the fully characterized photophysical properties, represents a cornerstone for understanding the intricate interactions between silver and DNA bases, as well as paving the way for the rational design of the next‐generation imaging probes. Nanorod ; Atom (system on chip) ; Nanotechnology ; DNA ; Materials science ; Chemistry ; Engineering ; Embedded system ; Biochemistry Nanocluster Synthesis and Applications ; Advanced biosensing and bioanalysis techniques ; Gold and Silver Nanoparticles Synthesis and Applications
Authors: Weijie Zhang | Wen-Zhu Sun | Ji-Tong Xu | Bei‐Qi Ou | Wan-Qing Zhou | Ling Chen | Jia‐Wen Ye | Mei Pan
Source: Journal of the American Chemical Society (article, 2025-05-09)
Field: Materials Science — Materials Chemistry

Lanthanide Antenna Amplifier Multiplies the Optical Sensing Efficiency in Phototautomeric Metal–Organic Frameworks Metal-organic frameworks (MOFs) incorporating phototautomeric ligands have shown significant potential for new-generation optical sensing devices. It is challenging to enlarge the energy difference of tautomers, which is crucial for improving the sensing efficiency. Herein, we report a novel tactic to amplify the excited-state intramolecular proton transfer (ESIPT) effect via the "antenna effect" in lanthanide sensitization. Specifically, by leveraging the enol (E)-keto (K) phototautomerization process, we achieve precise manipulation of the energy gap between the lowest ligand triplet state and the Eu(III) emitting level through fine-tuning. As a result, the small wavelength shift (10 nm) between the E* and K* emissions is amplified into an approximately 65-fold intensity change in Eu(III) emission. This enhancement is accompanied by a significantly lowered limit of detection (LOD: 0.53 μg/L) and improved sensitivity (0.6955% RH<sup>-1</sup>) in real-time humidity monitoring across a broad linear detection range (0-95.0% RH). Computational simulations and single-crystal analyses demonstrate two key mechanisms: (1) the appropriate hydrophilic/hydrophobic distribution in the MOF cavity facilitates rapid hydration/dehydration and (2) H<sub>2</sub>O desorption/adsorption-dependent ESIPT switching governs the deactivation/activation of the Eu(III) 4f excited state. This work presents an optimization approach to enhance energy utilization in MOF-based optical sensing. Chemistry ; Lanthanide ; Amplifier ; Antenna (radio) ; Metal-organic framework ; Metal ; Optoelectronics ; Telecommunications ; Organic chemistry ; Ion ; CMOS Luminescence and Fluorescent Materials ; Lanthanide and Transition Metal Complexes ; Molecular Sensors and Ion Detection
Authors: Zongsu Han | Wenhao Huang | Peng Cheng | Wei Shi
Source: Chinese Journal of Chemistry (article, 2025-01-27)
Field: Chemistry — Inorganic Chemistry

Functional Guest in Metal‐Organic Frameworks<sup>†</sup> Comprehensive Summary Metal‐organic frameworks (MOFs) contain ordered metal nodes, organic linkers, and guest species, which generally determine their properties respectively and/or synergistically. Guest species play a crucial role in maintaining charge balance and structural stability of MOFs. In addition to metal nodes and organic linkers, the type and distribution of guests can significantly influence the properties of MOFs, such as optics, magnetism, chirality, and catalysis. Understanding the role of guests to the properties of MOFs remains great challenge due to the complex chemical and electronic structures of MOFs. Recently, progresses on guest‐dependent properties of MOFs have been reported, which not only advanced our knowledge of host‐guest interactions and energy transfer mechanisms but also led to intriguing applications such as luminescent sensors, tunable magnetic materials, enantioselective materials, and catalysts. Crucially, the interactions between the host and guest can be finely tuned by altering the type and amount of guests without changing the core framework, allowing for precise regulation of targeted properties. In this review, we will explore how guest‐induced variations impact the optic, magnetic, chiral, and catalytic properties of MOFs, followed by an examination of the synergistic effects between hosts and guests, which is highly important for the development of advanced functional materials. Key Scientists Plenty of outstanding scientists have reported a great number of MOFs with their interesting properties. Diverse regulation and modification strategies have been developed towards the metal centers, the organic linkers, and the functional guests according to the binding modes and host‐guest interactions, to bring or enhance certain properties of MOFs. Guests in the pores of MOFs are crucial part for their properties based on the guest‐induced properties or the synergistic effects between the hosts and guests, which has been greatly developed by their continuous industrious works. Stories to be Continued … Chemistry ; Metal-organic framework ; Nanotechnology ; Organic chemistry ; Adsorption Metal-Organic Frameworks: Synthesis and Applications ; Enhanced Oil Recovery Techniques ; Magnetism in coordination complexes
Authors: Yu‐Ting Huang | Hao‐Yi Huang | Jingliang Cheng | Min Xie | Liang‐Wen Feng | Zhongzheng Cai | Jian‐Bo Zhu
Source: Angewandte Chemie International Edition (article, 2025-01-20)
Field: Materials Science — Biomaterials

A Regio‐ and Stereoselective Ring‐Opening Polymerization Approach to Isotactic Alternating Poly(lactic‐<i>co</i>‐glycolic acid) with Stereocomplexation Poly(lactic-co-glycolic acid) (PLGA) has been widely employed for various biomedical applications owing to its biodegradability and biocompatibility. The discovery of the stereocomplex formation between enantiomeric alternating PLGA pairs underscored its potential as high-performance biodegradable materials with diverse material properties and biodegradability. Herein, we have established a regio- and stereoselective ring-opening polymerization approach for the synthesis of stereocomplexed isoenriched alternating PLGA from racemic methyl-glycolide (rac-MG). The high sequence and tacticity control was accomplished by an optimized enantiopure scandium catalyst bearing a spiro-salen scaffold. Varying polymer stereoregularity P<sub>m</sub> from 0.4 to 0.91 led to a transformation of the resulting alternating PLGA from amorphous to semicrystalline materials. Notably, the stereocomplexed alternating PLGA demonstrated enhanced melting transition temperature (T<sub>m</sub> up to 191 °C) and crystallization rate. This regio- and stereocontrolled polymerization represented a versatile approach for the preparation of high-performance biodegradable PLGA materials. Glycolic acid ; PLGA ; Ring-opening polymerization ; Polymerization ; Enantiopure drug ; Materials science ; Tacticity ; Biocompatibility ; Lactide ; Polymer chemistry ; Biodegradable polymer ; Polymer ; Chemical engineering ; Organic chemistry ; Lactic acid ; Chemistry ; Enantioselective synthesis ; Nanotechnology ; Catalysis ; Composite material biodegradable polymer synthesis and properties ; Carbon dioxide utilization in catalysis ; Polyoxometalates: Synthesis and Applications
Authors: Kitti Franciska Szabó | Piotr Banachowicz | Antoni Powała | Danijela Lunic | Ignacio Funes‐Ardoiz | Dorota Gryko
Source: Nature Communications (article, 2025-05-31)
Field: Chemistry — Organic Chemistry

Photochemical C3-amination of pyridines via Zincke imine intermediates Selective skeletal and peripheral editing of the pyridine moiety has broadly expanded the chemical space. While C-H functionalization at C2 and C4 positions are enabled by the inherent reactivity of this heteroarene, selective derivatization at the C3 position has long posed a significant challenge. Recently, based on a dearomatization-rearomatization sequence, involving Zincke imine intermediates, selective halogenation (-Br, -Cl, and -I) and isotopic labelling were accomplished. Here, we report a mild and regioselective method for C3-amination that relies on the photochemical reaction of Zincke imine with an amidyl radical generated from N-aminopyridinium salts. Mechanistic and theoretical studies indicate that radical intermediates are involved and explain the C3 regioselectivity of the reaction. Imine ; Regioselectivity ; Chemistry ; Moiety ; Derivatization ; Amination ; Reactivity (psychology) ; Halogenation ; Pyridine ; Combinatorial chemistry ; Photochemistry ; Organic chemistry ; Catalysis Catalytic C–H Functionalization Methods ; Radical Photochemical Reactions ; Synthesis and Catalytic Reactions
Authors: Andriy R. Kuzmyn | Sissi de Beer
Source: Polymer (article, 2025-02-20)
Field: Materials Science — Surfaces, Coatings and Films

Polymer brushes by SI-PET-RAFT: Synthesis and applications Polymer brush coatings have been used to tune interfacial properties for numerous applications, such as biomedical implants, biosensors, and in tissue engineering. In the past decade, photochemistry has emerged as a growing area in polymer chemistry. Using light to drive polymerization reactions has the advantage that it enables spatial and temporal control over the reaction. Surface-initiated photoinduced electron/energy transfer reversible addition–fragmentation chain transfer polymerization (SI-PET-RAFT) has emerged as an excellent technique for developing well-defined polymer brush coatings composed of various functional monomers. This compact review focuses on this highly versatile scalable synthesis technique for creating polymer brush coatings and the applications of these coatings. Raft ; Polymer ; Polymer science ; Materials science ; Polymer chemistry ; Chemical engineering ; Composite material ; Copolymer ; Engineering Polymer Surface Interaction Studies ; Nanofabrication and Lithography Techniques ; Orthopaedic implants and arthroplasty
Authors: Ana Catarina Leite | Ricardo N. Pereira | Rui M. Rodrigues
Source: Food Hydrocolloids (review, 2025-01-25)
Field: Chemistry — Spectroscopy

Protein aerogels as food-grade delivery systems - A comprehensive review Aerogels have gained considerable attention in recent years due to their unique properties, drawing interest from both the scientific community and industry. Yet, their potential in food applications remains largely unexplored. Protein-derived aerogels exhibit remarkable bioactivity, biocompatibility and biodegradability, showing promise as food-grade delivery systems. While there are numerous reports on food-grade aerogels derived from animal proteins, the use of non-animal proteins (NAPs) remains underrepresented. Additionally, protein-based aerogels, especially those derived from NAPs, can address concerns related to resource-intensive protein sourcing, environmental impact, health-related issues, and ethical concerns. Hence, this review aims to comprehensively understand the advances in protein aerogels, covering synthesis methods, bioactive compound-loading techniques, performance characterization, and release mechanisms. It also explores the potential food applications of these protein aerogels, focusing on the employment of NAPs. By consolidating the existing information, this review offers insights into the future development of protein aerogels and their applications as functional food ingredients. Protein aerogels have the potential to serve as components in food packaging or edible delivery systems, encapsulating bioactive compounds, extending shelf-life, serving as fat substitutes, and even masking odors and flavors. • Food-grade aerogels derived from proteins are a new trend. • Protein-based aerogels are promising delivery systems of functional compounds. • Synthesis, loading and release mechanisms, and characterisation are explored. • Aerogels derived from non-animal proteins require more investigation. Food protein ; Nanotechnology ; Food delivery ; Chemistry ; Food science ; Business ; Materials science Aerogels and thermal insulation ; Advanced Sensor and Energy Harvesting Materials ; Electrospun Nanofibers in Biomedical Applications
Authors: Chendan Zhu | Sayantani Das | Avishek Guin | Chandra Kanta De | Benjamin List
Source: Nature Catalysis (article, 2025-05-16)
Field: Chemistry — Organic Chemistry

Organocatalytic regio- and stereoselective cyclopropanation of olefins Abstract As reactive intermediates and substructures of natural products and bioactive molecules, the smallest cyclic alkanes—cyclopropanes—are an attractive class of molecules for chemists. Arguably, the most general approach to their chemical synthesis involves the addition of metal carbenes to olefins. Whereas catalytic asymmetric cyclopropanations of electronically unbiased olefins with carbenoids have been reported using chiral metal complexes and engineered metalloenzymes, we now report a complementary, metal-free and highly enantioselective cyclopropanation of olefins with diazoalkanes, applying asymmetric counteranion-directed photoredox organocatalysis. We identify an ion pair featuring a thioxanthylium photoredox cation and a chiral imidodiphosphorimidate counteranion that catalyses highly enantioselective cyclopropanations of styrenes and aliphatic dienes with diazo compounds. Mechanistic investigations reveal a wavelength dependence of the enantioselectivity and suggest that the main catalytic pathway proceeds via olefin-derived radical cation intermediates. This metal-free, highly enantioselective organocatalytic approach complements previously reported methods for alkene manipulations. Cyclopropanation ; Stereoselectivity ; Chemistry ; Organic chemistry ; Catalysis Cyclopropane Reaction Mechanisms ; Asymmetric Synthesis and Catalysis ; Catalytic Alkyne Reactions
Authors: Kai Xu | Yaoqian Feng | Fuxiang Wen | Xiaoyi Xu | Hanwen Wang | Qing‐Jun Shui | Ning Huang
Source: Angewandte Chemie International Edition (article, 2025-04-23)
Field: Materials Science — Materials Chemistry

Topological Control Over Porphyrin‐Based Covalent Organic Frameworks for Elucidating Electron Transfer Characteristics Two-dimensional covalent organic frameworks (2D COFs) have emerged as promising functional materials due to their programmable architectures and tunable functionalities. Nevertheless, the structural diversity of porphyrin-based 2D COFs remains restricted by the prevalent use of sql topology, hindering comprehensive structure-property exploration. Herein, we systematically designed and synthesized porphyrinic 2D COFs featuring distinct sql and bex topological configurations. Comprehensive structural characterization confirmed precise control over lattice geometries, revealing monoporous structure in sql topology versus biporous architecture in bex topology. Electrochemical investigations uncovered topology-governed electron transport characteristics, with the unique coordination geometry of bex topology exhibiting enhanced electron transfer efficiency. Band structure analysis demonstrated that topological configuration and chemical composition collectively modulate electronic structures. Inspired by these findings, we developed nickel-incorporated bex-COFs for electrocatalytic oxygen evolution. The optimized Ni-BBFPP-TAPP-COF with bex topology demonstrated remarkable catalytic performance, achieving a low overpotential of 342 mV at 10 mA cm<sup>-2</sup>, which surpasses most reported porphyrin-based electrocatalysts. This study not only significantly expands the structural repertoire of porphyrinic COFs but also establishes explicit correlations between topological engineering and electrocatalytic performance, providing fundamental design principles for advanced energy conversion materials. Topology (electrical circuits) ; Porphyrin ; Materials science ; Electron transfer ; Overpotential ; Electrochemistry ; Nanotechnology ; Chemistry ; Electrode ; Photochemistry Covalent Organic Framework Applications ; Electrocatalysts for Energy Conversion ; Conducting polymers and applications
Authors: Ivan S. Pires | Ezra Gordon | Heikyung Suh | Darrell J. Irvine | Paula T. Hammond
Source: Advanced Functional Materials (article, 2025-04-03)
Field: Materials Science — Surfaces, Coatings and Films

High‐Throughput Microfluidic‐Mediated Assembly of Layer‐By‐Layer Nanoparticles Surface modification of nanoparticles (NPs) via the layer-by-layer (LbL) technique is a promising approach to generate targeted drug delivery vehicles. LbL-NPs have been successfully used in preclinical models for controlled drug release, tumor and immune cell targeting, improved pharmacokinetics and biodistribution, and controlling cellular trafficking and uptake mechanisms. A simple and scalable synthesis method for LbL-NPs that can be adapted for clinical translation is of great interest. Here we present a new method of polymer deposition onto NPs enabled through microfluidic (MCF) mixing. NPs are mixed with polyelectrolytes using commercially available bifurcating mixer MCF cartridges. In addition to increased process robustness, MCF allows for LbL electrostatic assembly using titrated polymer-to-NP weight equivalent ratios where no excess polymer is required to achieve a given LbL layering. Under such conditions, no time-consuming purification is needed, greatly increasing LbL-NP throughput and avoiding the loss of NPs during purification. We demonstrate the utility of this system using IL-12-loaded liposomal NPs which show equivalent efficacy in vitro and in vivo to LbL-NPs generated via traditional lab-scale batch-wise polymer adsorption and tangential flow filtration purification. Moreover, we show that MCF can assemble LbL films of various chemistries and on various NP core substrates. Materials science ; Layer (electronics) ; Throughput ; Microfluidics ; Nanotechnology ; Layer by layer ; Nanoparticle ; Computer science ; Telecommunications Polymer Surface Interaction Studies ; Innovative Microfluidic and Catalytic Techniques Innovation ; Gold and Silver Nanoparticles Synthesis and Applications
Authors: Lian‐Jie Li | Jun‐Chun Zhang | J.Z.H. Zhang | Hui Yu | Ze‐Peng Yang
Source: Angewandte Chemie International Edition (article, 2025-04-07)
Field: Chemistry — Organic Chemistry

Acyclic Quaternary Stereocenters via Catalytic Asymmetric Cross‐Couplings with Unactivated Alkyl <i>N</i> ‐Hydroxyphthalimide Esters While significant advancements have been made in creating quaternary stereocenters (all-carbon substituents) within cyclic frameworks, generating acyclic quaternary stereocenters poses a more formidable task due to increased conformational flexibility. Herein, we report an enantioselective synthesis of compounds containing acyclic quaternary stereocenters through an iron-catalyzed alkylation reaction between an acyclic tertiary alkyl source and an unactivated primary alkyl source. This method not only facilitates the rapid construction of sterically hindered motifs but also effectively enhances the saturation level of the molecule. Key to this method is an outer-sphere C─C bond formation mechanism, where enantioselectivity is governed by a cooperative triple catalysis system that combines photoredox, chiral Lewis acid, and iron catalysis. A series of compounds featuring acyclic quaternary stereocenters is produced under mild reaction conditions, and various transformations are presented to illustrate the potential applications of this approach. A comprehensive mechanistic study supports the crucial S<sub>H</sub>2 (bimolecular homolytic substitution) mechanism. Stereocenter ; Enantioselective synthesis ; Alkyl ; Chemistry ; Alkylation ; Steric effects ; Combinatorial chemistry ; Stereochemistry ; Catalysis ; Organic chemistry Catalytic C–H Functionalization Methods ; Radical Photochemical Reactions ; Sulfur-Based Synthesis Techniques
Authors: Jing Zhou | Hong‐Hua Cui | Yukun Liu | Hongwei Ming | Yan Yu | Vinayak P. Dravid | Zhong‐Zhen Luo | Qingyu Yan | Zhigang Zou | Mercouri G. Kanatzidis
Source: Nature Communications (article, 2025-07-01)
Field: Materials Science — Materials Chemistry

Conduction band convergence and local structure distortion for superior thermoelectric performance of GaSb-doped n-type PbSe thermoelectrics Achieving high-stability thermoelectric materials with excellent average power factor and figure of merit is crucial for maximizing the output power density and conversion efficiency of thermoelectric devices. In this study, GaSb is added to PbSe as an n-type dopant to form stable solid solutions. Doping with GaSb flattens the conduction band and reduces the energy difference between the Σ and L conduction bands, thereby significantly improving the Seebeck coefficient. Herein, the Ga and Sb atoms co-occupy the vacant Pb sites, unlike in the case of traditional single-element doping, as is verified by density functional theory calculations. The resultant structural distortion is confirmed via transmission electron microscopy. This local structure distortion caused by GaSb doping reduces the lattice thermal conductivity. Consequently, the Pb<sub>0.99875</sub>(GaSb)<sub>0.00125</sub>Se sample exhibits a record-high average power factor of ~22.37 μW cm<sup>-1</sup> K<sup>-2</sup> and a high average figure of merit of ~0.94 in the temperature range of 300‒873 K. Furthermore, the introduction of interstitial Cu and discordant Zn atoms further reduces the lattice thermal conductivity. The Pb<sub>0.99875</sub>(GaSb)<sub>0.00125</sub>Zn<sub>0.01</sub>Se<sub>1.01</sub>-0.3%Cu sample exhibits a low lattice thermal conductivity of ~0.4 W m<sup>-1</sup> K<sup>-1</sup> at 873 K and a record-high average figure of merit of ~1.01 in the temperature range of 300‒873 K. Figure of merit ; Thermoelectric effect ; Materials science ; Seebeck coefficient ; Doping ; Thermoelectric materials ; Thermal conductivity ; Dopant ; Condensed matter physics ; Thermal conduction ; Atmospheric temperature range ; Optoelectronics ; Thermodynamics ; Physics ; Composite material Advanced Thermoelectric Materials and Devices ; Chalcogenide Semiconductor Thin Films ; Thermal Radiation and Cooling Technologies