jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Xin Shen | Wanhua Wu | Cheng Yang
Source: Molecules (review, 2024-07-08)
Field: Materials Science — Materials Chemistry

Recent Progress in Solid-State Room Temperature Afterglow Based on Pure Organic Small Molecules Organic room temperature afterglow (ORTA) can be categorized into two key mechanisms: continuous thermally activated delayed fluorescence (TADF) and room-temperature phosphorescence (RTP), both of which involve a triplet excited state. However, triplet excited states are easily quenched by non-radiative transitions due to oxygen and molecular vibrations. Solid-phase systems provide a conducive environment for triplet excitons due to constrained molecular motion and limited oxygen permeation within closely packed molecules. The stimulated triplet state tends to release energy through radiative transitions. Despite numerous reports on RTP in solid-phase systems in recent years, the complexity of these systems precludes the formulation of a universal theory to elucidate the underlying principles. Several strategies for achieving ORTA luminescence in the solid phase have been developed, encompassing crystallization, polymer host-guest doping, and small molecule host-guest doping. Many of these systems exhibit luminescent responses to various physical stimuli, including light stimulation, mechanical stimuli, and solvent vapor exposure. The appearance of these intriguing luminescent phenomena in solid-phase systems underscores their significant potential applications in areas such as light sensing, biological imaging, and information security. Phosphorescence ; Afterglow ; Luminescence ; Excited state ; Chemical physics ; Triplet state ; Materials science ; Molecule ; Phase (matter) ; Exciton ; Photochemistry ; Chemistry ; Nanotechnology ; Fluorescence ; Atomic physics ; Optoelectronics ; Physics ; Optics ; Condensed matter physics ; Organic chemistry Luminescence and Fluorescent Materials ; Organic Light-Emitting Diodes Research ; Luminescence Properties of Advanced Materials
Authors: L. Díaz | Julie E. Gough | Aline F. Miller | Alberto Saiani
Source: Journal of Peptide Science (article, 2024-09-27)
Field: Materials Science — Biomaterials

RGD‐functionalised self‐assembling peptide hydrogel induces a proliferative profile in human osteoblasts in vitro Self-assembling peptide hydrogels (SAPHs) have been used in the past decade as reliable three-dimensional (3D) synthetic scaffolds for the culture of a variety of mammalian cells in vitro. Thanks to their versatile physicochemical properties, they allow researchers to tailor the hydrogel properties, including stiffness and functionality to the targeted cells and cells' behaviour. One of the advantages of using SAPH scaffolds is the ease of functionalisation. In the present work, we discuss the effect that functionalising the FEFEFKFK (F, phenylalanine; K, lysine; and E, glutamic acid) hydrogel scaffold using the cell-binding RGDS (fibronectin - R, arginine; G, glycine; D, aspartic acid; S, serine) epitope affects the material properties as well as the function of encapsulated human osteoblast cells. RGDS functionalisation resulted in cells adopting an elongated morphology, suggesting attachment and increased proliferation. While this led to higher cell viability, it also resulted in a decrease in extra-cellular matrix (ECM) protein production as well as a decrease in calcium ion deposition, suggesting lower mineralisation capabilities. The work clearly shows that SAPHs are a flexible platform that allow the modification of scaffolds in a controlled manner to investigate cell-material interactions. Self-healing hydrogels ; Scaffold ; Chemistry ; In vitro ; Fibronectin ; Peptide ; Lysine ; Biophysics ; Tissue engineering ; Osteoblast ; Cell ; Cell biology ; Biochemistry ; Amino acid ; Biomedical engineering ; Biology ; Polymer chemistry Supramolecular Self-Assembly in Materials ; Silk-based biomaterials and applications ; Cell Adhesion Molecules Research
Authors: Jianjun Huang | Thanh Chung Pham | D Coenen | Jonathan B. F. Vandenwijngaerden | Jing Gong | Hue Minh Thi Nguyen | Luc Van Meervelt | Mark Van der Auweraer | Daniel Escudero | Wim Dehaen
Source: Chemistry - A European Journal (article, 2024-08-19)
Field: Materials Science — Materials Chemistry

Benzo‐Fused BOPAM Fluorophores: Synthesis, Post‐functionalization, Photophysical Properties and Acid sensing Applications A novel category of asymmetric boron chromophores with the attachment of two BF<sub>2</sub> moieties denoted as BOPAM has been successfully synthesized via a one-pot three-step reaction starting from N-phenylbenzothioamide. This synthetic route results in the production of [a] and [b]benzo-fused BOPAMs along with post-functionalization of the [a]benzo-fused BOPAMs. The photophysical properties of these compounds have been systematically investigated through steady-state absorption and fluorescence emission measurements in solvents at both ambient and cryogenic temperatures, as well as in the solid state. Computational methods have been employed to elucidate the emissive characteristics of the benzo-fused BOPAMs, revealing distinctive photophysical attributes, including solvent-dependent fluorescence intensity. Remarkably, certain BOPAM derivatives exhibit noteworthy photophysical phenomena, such as the induction of off-on fluorescence emission under specific solvent conditions and the manifestation of intermolecular charge transfer states in solid-state matrices. Through post-functionalization strategies involving the introduction of electron-donating groups onto the [a]benzo-fused BOPAM scaffold, an intramolecular charge transfer (ICT) pathway is activated, leading to substantial fluorescence quenching via non-radiative decay processes. Notably, one [a]benzo-fused BOPAM variant exhibits a pronounced fluorescence enhancement upon exposure to acidic conditions, thereby underscoring its potential utility in pH-sensing applications. Surface modification ; Combinatorial chemistry ; Chemistry ; Materials science ; Physical chemistry Luminescence and Fluorescent Materials ; Molecular Sensors and Ion Detection ; Supramolecular Self-Assembly in Materials
Authors: Moritz P. Schuldt | Tatjana Maximenko | Frank Röminger | Michael Mastalerz
Source: Chemistry - A European Journal (article, 2024-10-27)
Field: Chemistry — Organic Chemistry

Revisiting Butafulvene Formation by Thermal Dimerization of Fluorene‐Based Dialkynes ‐ Effects of Aromatic Substituents Butafulvenes, together with pentafulvenes and [3]radialenes, form a series of constitutional benzene isomers in which aromaticity changes significantly and can be strongly substituent dependent. Butafulvene, as a member of this series, is frequently proposed to be antiaromatic. Based on butafulvenes Hopf, Zimmerman and coworkers first time described, derivatives thereof were synthesized and the effects of substituents on both the stability of the intermediate isobenzenes and on their optoelectronic and (anti)aromatic properties are discussed. Fluorene ; Antiaromaticity ; Substituent ; Aromaticity ; Benzene ; Chemistry ; Thermal stability ; Series (stratigraphy) ; Benzene derivatives ; Computational chemistry ; Photochemistry ; Stereochemistry ; Organic chemistry ; Molecule ; Polymer ; Chemical synthesis Synthesis and Properties of Aromatic Compounds ; Cyclization and Aryne Chemistry ; N-Heterocyclic Carbenes in Organic and Inorganic Chemistry
Authors: Chloë Bonnenfant | Nahir Vadra | Mathieu Rouzières | Rodolphe Clérac | Fabio D. Cukiernik | Pablo Alborés
Source: Dalton Transactions (article, 2024-01-01)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Alkyl chain length influence of the functionalized diethanolamine ligand on the slow relaxation of the magnetization in {CoIII3DyIII3} complexes We report the synthesis, structural characterization and magnetic properties of a series of Co(III)/Dy(III) complexes built up from an <i>N</i>-alkyl derivatized amino-alcohol ligand diethanolamine, functionalized with C<sub><i>n</i></sub>H<sub>2<i>n</i>+1</sub> alkyl chains (<i>n</i> = 3, 4, 6, 8 and 10). While <i>n</i> = 3 afforded a butterfly {CoIII2DyIII2} core, the other alkyl chains (<i>n</i> = 4, 6, 8) afforded hexanuclear triangle-in-triangle {CoIII3DyIII3} complexes as shown by single-crystal X-ray determinations. Infrared spectroscopy allows us to characterize the C<sub>10</sub> derivative complex, which did not crystallize. Magnetic ac susceptibility data collected below 10 K at driving frequencies up to 10 kHz under zero-dc field and up to 1 T provide insight into the SMM behaviour of the studied complexes. The characteristic time of the magnetization dynamics can be understood in terms of the competing Raman, Direct and Orbach-like mechanisms. A relationship between the magnetization dynamics within the family of complexes and the increasing alkyl chain length is discussed. Diethanolamine ; Alkyl ; Magnetization ; Chemistry ; Ligand (biochemistry) ; Crystallography ; Relaxation (psychology) ; Derivative (finance) ; Stereochemistry ; Organic chemistry ; Magnetic field ; Physics Magnetism in coordination complexes ; Lanthanide and Transition Metal Complexes ; Metal-Catalyzed Oxygenation Mechanisms
Authors: Suchen Zou | Zeyu Zhao | Guoqing Yang | Hanmin Huang
Source: Nature Communications (article, 2024-12-02)
Field: Chemistry — Inorganic Chemistry

Tailored chiral phosphoramidites support highly enantioselective Pd catalysts for asymmetric aminoalkylative amination Even though tuning electronic effect of chiral ligands has proven to be a promising method for designing efficient catalysts, the potential to achieve highly selective reactions by this strategy remains largely unexplored. Here, we report a palladium-catalyzed enantioselective ring-closing aminoalkylative amination of aminoenynes enabled by rationally tuning the remote electronic property of 1,1'-binaphthol-derived phosphoramidites. With a tailored 6,6'-CN-substituted 1,1'-binaphthol-derived phosphoramidite as a ligand, a broad range of aromatic amines are compatible with this reaction, allowing the efficient synthesis of a series of enantioenriched exocyclic allenylamines bearing saturated N-heterocycles with up to >99% enantiomeric excess. Remarkably, a one-pot aminoalkylative amination/hydroamination process for the rapid synthesis of chiral spirodiamines promoted by this catalytic system is also established. Detailed mechanistic studies provide solid evidence to support that the remote electronic character of these chiral ligands can efficiently tuning the enantioselectivity by altering the length of the allylic C-Pd bond of the key catalytic intermediate. Enantioselective synthesis ; Amination ; Combinatorial chemistry ; Catalysis ; Allylic rearrangement ; Phosphoramidite ; Chemistry ; Organic chemistry Asymmetric Hydrogenation and Catalysis ; Catalytic C–H Functionalization Methods ; Synthesis and Catalytic Reactions
Authors: Fakhar E. Alam | Basharat Ali | Suneela Arif
Source: Materials Advances (article, 2024-01-01)
Field: Materials Science — Materials Chemistry

Electric field and strain mediated zinc blende ZnSe: exploring its potential as a controlled stimulus responsive optical and optoelectronic material Charge density distribution upon the application of stimulus (a)–(f) electric field (g)–(l) biaxial compressive and tensile strain in the primitive zinc blende ZnSe unit cell calculated using the GGA scheme. Electric field ; Optoelectronics ; Materials science ; Stimulus (psychology) ; Nanotechnology ; Physics ; Psychology ; Cognitive psychology ; Quantum mechanics ZnO doping and properties ; Quantum Dots Synthesis And Properties ; Chalcogenide Semiconductor Thin Films
Authors: Roshan F. Dsouza | Anbanandam Parthiban
Source: Journal of Applied Polymer Science (article, 2024-01-21)
Field: Chemistry — Organic Chemistry

Water‐based <scp>UV</scp> curable hybrid urethane‐acrylates formed by acid–base interaction between tertiary amine containing polyurethane and acrylic acid for photocoating and ink applications Abstract Urethane acrylate hybrids are commonly used in polyurethane dispersions (PUD). PUDs are key ingredients in UV curing applications and UV curing is widely used in coatings and inks. The preparation of PUDs involves many volatiles in the form of solvents and reagents that are also carried over in the UV curing step. This article reports a process, which totally eliminates these volatile components and additionally introduces many flexibilities. The process involves acid–base interaction between tertiary amine containing polyurethane and acidic vinyl monomer like acrylic acid forming polyurethane‐acrylate (PU‐AA) hybrids in water. The developed process also overcomes the prepolymer and “endcapping” approaches used in the preparation of PUDs that restrict the molecular weight of polyurethanes. Simultaneously, because of the prevalence of large number of vinyl components in the polymer backbone through the acid–base interaction, it functions as a multifunctional acrylate similar to the reactive diluents used in UV curing applications. Thus, it helps to increase the cross‐linking density of the UV cured substrates. In general, high crosslinking density helps to improve characteristics like hardness, scratch, solvent and stain resistance of coated substrates. The process has been demonstrated to form transparent and opaque coated substrates and cured inks. This development potentially helps to shift the process from an industrial activity to do‐it‐yourself domain and has implications for the development of components for 3D printing sustainably. Polyurethane ; Materials science ; Prepolymer ; Acrylate ; Curing (chemistry) ; UV curing ; Acrylic acid ; Polymer chemistry ; Polymer ; Solvent ; Monomer ; Chemical engineering ; Composite material ; Chemistry ; Organic chemistry Photopolymerization techniques and applications ; Polymer composites and self-healing ; Advanced Polymer Synthesis and Characterization
Authors: Xiang Wang | Haiyun Jiang | Mengyu Gan | Jun Zhang | Ruomei Wu | Weili Zhang | Ziyi Wang | Mingxing Guo | Y Mu
Source: Polymers (article, 2024-12-30)
Field: Materials Science — Polymers and Plastics

Improving the Electrochemical and Electrochromic Properties of Copolymerized 3,4-Ethylenedioxythiophene with Pyrene Pyrene (Pr) was used to improve the electrochemical and electrochromic properties of polythiophene copolymerized with 3,4-ethylenedioxythiophene (EDOT). The corresponding product, poly(3,4-ethylenedioxythiophene-co-Pyrene) (P(EDOT-co-Pr)), was successfully synthesized by electrochemical polymerization with different monomer concentrations in propylene carbonate solution containing 0.1 M lithium perchlorate (LiClO<sub>4</sub>/PC (0.1 M)). The homopolymer and copolymer films were analyzed by Fourier transform infrared spectroscopy (FT-IR), color-coordinate and colorimetric methods, cyclic voltammetry (CV), spectroelectrochemistry (SEC), and UV-visible spectroscopy (UV-Vis). Homopolymer poly(3,4-ethylenedioxythiophene) (PEDOT) and the P(EDOT-co-Pr) copolymer were investigated, which included examining their colorimetric, electrochemical, and electrochromic characteristics. The color shifts resulting from redox reactions of the polymers were also observed. The copolymers with different monomer concentrations achieved multicolor shifts, such as light purple, dark blue, dark red, green, and earthy yellow. Moreover, P(EDOT-co-Pr) had a small optical bandgap (1.74-1.83 eV), excellent optical contrast (31.68-45.96%), and high coloring efficiency (350-507 cm<sup>2</sup> C<sup>-1</sup>). In particular, P(EDOT1-co-Pr3) exhibited outstanding cycling stability, retaining 91% of its initial optical contrast after cycling for 10,000 s, and it is expected to be a promising candidate copolymer for electrochromic applications. Electrochromism ; Materials science ; PEDOT:PSS ; Poly(3,4-ethylenedioxythiophene) ; Cyclic voltammetry ; Copolymer ; Monomer ; Electrochromic devices ; Polymerization ; Fourier transform infrared spectroscopy ; Polythiophene ; Electrochemistry ; Conductive polymer ; Polymer chemistry ; Chemical engineering ; Polymer ; Chemistry ; Electrode ; Physical chemistry Conducting polymers and applications ; Transition Metal Oxide Nanomaterials ; Advanced Sensor and Energy Harvesting Materials
Authors: Abniel Machín | María Cotto | Francisco Márquez | Jesús Díaz-Sánchez | C. Polop | Carmen Morant
Source: Nanomaterials (article, 2024-11-28)
Field: Materials Science — Materials Chemistry

Hydrogen Production and Li-Ion Battery Performance with MoS2-SiNWs-SWNTs@ZnONPs Nanocomposites This study explores the hydrogen generation potential via water-splitting reactions under UV-vis radiation by using a synergistic assembly of ZnO nanoparticles integrated with MoS<sub>2</sub>, single-walled carbon nanotubes (SWNTs), and crystalline silicon nanowires (SiNWs) to create the MoS<sub>2</sub>-SiNWs-SWNTs@ZnONPs nanocomposites. A comparative analysis of MoS<sub>2</sub> synthesized through chemical and physical exfoliation methods revealed that the chemically exfoliated MoS<sub>2</sub> exhibited superior performance, thereby being selected for all subsequent measurements. The nanostructured materials demonstrated exceptional surface characteristics, with specific surface areas exceeding 300 m<sup>2</sup> g<sup>-1</sup>. Notably, the hydrogen production rate achieved by a composite comprising 5% MoS<sub>2</sub>, 1.7% SiNWs, and 13.3% SWNTs at an 80% ZnONPs base was approximately 3909 µmol h<sup>-1</sup>g<sup>-1</sup> under 500 nm wavelength radiation, marking a significant improvement of over 40-fold relative to pristine ZnONPs. This enhancement underscores the remarkable photocatalytic efficiency of the composites, maintaining high hydrogen production rates above 1500 µmol h<sup>-1</sup>g<sup>-1</sup> even under radiation wavelengths exceeding 600 nm. Furthermore, the potential of these composites for energy storage and conversion applications, specifically within rechargeable lithium-ion batteries, was investigated. Composites, similar to those utilized for hydrogen production but excluding ZnONPs to address its limited theoretical capacity and electrical conductivity, were developed. The focus was on utilizing MoS<sub>2</sub>, SiNWs, and SWNTs as anode materials for Li-ion batteries. This strategic combination significantly improved the electronic conductivity and mechanical stability of the composite. Specifically, the composite with 56% MoS<sub>2</sub>, 24% SiNWs, and 20% SWNTs offered remarkable cyclic performance with high specific capacity values, achieving a complete stability of 1000 mA h g<sup>-1</sup> after 100 cycles at 1 A g<sup>-1</sup>. These results illuminate the dual utility of the composites, not only as innovative catalysts for hydrogen production but also as advanced materials for energy storage technologies, showcasing their potential in contributing to sustainable energy solutions. Materials science ; Nanocomposite ; Anode ; Exfoliation joint ; Composite number ; Carbon nanotube ; Lithium (medication) ; Hydrogen ; Nanotechnology ; Nanoparticle ; Hydrogen production ; Nanomaterials ; Chemical engineering ; Composite material ; Graphene ; Electrode ; Chemistry MXene and MAX Phase Materials ; Advanced Photocatalysis Techniques ; 2D Materials and Applications
Authors: Gabriel C. Halford | Sean P. McDarby | Sebastian Hertle | Anne F. Kiely | Jessica T. Luu | Claire J. Wang | Michelle L. Personick
Source: Nanoscale (article, 2024-01-01)
Field: Chemistry — Electrochemistry

Troubleshooting the influence of trace chemical impurities on nanoparticle growth kinetics <i>via</i> electrochemical measurements Reproducibility issues resulting from particle growth solutions made with cetyltrimethylammonium bromide (CTAB) surfactant from different lots and product lines in a newly developed synthesis of monometallic palladium (Pd) tetrahexahedra (THH) nanoparticles are investigated <i>via</i> a multi-pronged approach. Time-resolved electrochemical measurements of solution potential, variation of chemical parameters in colloidal synthesis, and correlation to electrodeposition syntheses are used together to uncover the effects of the unknown contaminants on the chemical reducing environment during nanoparticle growth. Iodide-a known impurity in commercial CTAB-is identified as one of the required components for equalizing the reducing environment across multiple CTAB sources. However, an additional component-acetone-is critical to establishing the growth kinetics necessary to enable the reproducible synthesis of THH in each of the CTAB formulations. In one CTAB variety, the powdered surfactant contains too much acetone, and drying of the as-received surfactant and re-addition of solvent is necessary for successful Pd THH synthesis. The relevance of solvent impurities to the reducing environment in aqueous nanoparticle synthesis is confirmed <i>via</i> electrochemical measurement approaches and solvent addition experiments. This work highlights the utility of real-time electrochemical potential measurements as a tool for benchmarking of nanoparticle syntheses and troubleshooting of reproducibility issues. The results additionally emphasize the importance of considering organic solvent impurities in powdered commercial reagents as a possible shape-determining factor during shaped nanomaterials synthesis. Troubleshooting ; Impurity ; TRACE (psycholinguistics) ; Electrochemistry ; Kinetics ; Nanoparticle ; Analytical Chemistry (journal) ; Materials science ; Nanotechnology ; Chemistry ; Electrode ; Physical chemistry ; Computer science ; Chromatography ; Physics ; Organic chemistry Electrochemical Analysis and Applications ; Gold and Silver Nanoparticles Synthesis and Applications ; Gas Sensing Nanomaterials and Sensors
Authors: Julie Kong | Charlie Lacroix | Chloée Bournaud | Yasuhiro Yamashita | Shu̅ Kobayashi | Giang Vo‐Thanh
Source: Advanced Synthesis & Catalysis (article, 2024-01-18)
Field: Chemistry — Organic Chemistry

Enantioselective Acyl‐Transfer/Protonation Reactions with Designed Chiral Thiourea‐Iminophosphorane Catalysts Abstract A designed chiral thiourea‐iminophosphorane catalyst was developed to afford α‐acyloxythioesters through enantioselective acyl‐transfer/protonation of α‐acyloxy‐β‐ketosulfides. The desired reaction proceeded in good yields with high enantioselectivities using a chiral thiourea‐iminophosphorane bearing a pyrrolidine scaffold. Chemistry ; Enantioselective synthesis ; Protonation ; Thiourea ; Catalysis ; Organocatalysis ; Organic chemistry ; Combinatorial chemistry Asymmetric Synthesis and Catalysis ; Asymmetric Hydrogenation and Catalysis ; Chemical Synthesis and Analysis