jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Shu‐Jin Bao | Ze‐Ming Xu | Tianchen Yu | Yinglin Song | Heng Wang | Zheng Niu | Xiaopeng Li | Brendan F. Abrahams | Pierre Braunstein | Jian‐Ping Lang
Source: Research (article, 2022-01-01)
Field: Chemistry — Organic Chemistry

Flexible Vertex Engineers the Controlled Assembly of Distorted Supramolecular Tetrahedral and Octahedral Cages Designing and building unique cage assemblies attract increasing interest from supramolecular chemists but remain synthetically challenging. Herein, we propose the use of a flexible vertex with adjustable angles to selectively form highly distorted tetrahedral and octahedral cages, for the first time, in which the flexible vertex forms from the synergistic effect of coordination and covalent interactions. The inherent interligand angle of the vertex can be modulated by guest anions present, which allows for the fine-tuning of different cage geometries. Furthermore, the reversible structural transformation between tetrahedral and octahedral cages was achieved by anion exchange monitored by mass spectrometric technique, the smaller anions favoring tetrahedral cages, while the larger anions supporting octahedral cages. Additionally, the KBr-based cage thin films exhibited prominent enhancement of their third-order NLO responses in two or three orders of magnitude compared to those obtained for their corresponding solutions. This work not only provides a new methodology to build irregular polyhedral structures in a controlled and tunable way but also provides access to new kinds of promising functional optical materials. Tetrahedron ; Octahedron ; Vertex (graph theory) ; Supramolecular chemistry ; Cage ; Crystallography ; Covalent bond ; Chemistry ; Ion ; Materials science ; Nanotechnology ; Topology (electrical circuits) ; Crystal structure ; Combinatorics ; Mathematics ; Graph ; Organic chemistry Supramolecular Chemistry and Complexes ; Supramolecular Self-Assembly in Materials ; Luminescence and Fluorescent Materials
Authors: Yanli Zhang | Wenlong Li | Ruijun Jiang | Lei Zhang | Yuanhao Li | Xiaoyang Xu | Xuguang Liu
Source: The Journal of Organic Chemistry (article, 2022-09-23)
Field: Chemistry — Organic Chemistry

Synthetic Doping of Acenaphthylene through BN/CC Isosterism and a Direct Comparison with BN-Acenaphthene Boron/nitrogen-doped acenaphthylenes, a new class of BN-doped cyclopenta-fused polycyclic aromatic hydrocarbons, were synthesized via indole-directed C-H borylation. The reference molecule BN-acenaphthene was also synthesized in a similar manner. Both BN-acenaphthylene and BN-acenaphthene were unequivocally characterized by single-crystal X-ray analysis. The aromaticities of each ring in BN-acenaphthylenes were quantified by experimental and theoretical methods. Moreover, doping the BN unit into acenaphthylene can increase the LUMO level and decrease the HOMO level, resulting in wider HOMO-LUMO energy gaps. Furthermore, regioselective bromination of BN-acenaphthylene (B-Mes) afforded monobrominated BN-acenaphthylene in good yield. Subsequently, cross-coupling of brominated BN-acenaphthylene gave a series of BN-acenaphthylene derivatives. In addition, the photophysical properties of these BN-acenaphthylene derivatives can be fine-tuned by the substituents on the BN-acenaphthylene scaffold. Acenaphthylene ; Acenaphthene ; HOMO/LUMO ; Doping ; Chemistry ; Photochemistry ; Naphthalene ; Materials science ; Crystallography ; Molecule ; Organic chemistry Organoboron and organosilicon chemistry ; Synthesis and Properties of Aromatic Compounds ; Luminescence and Fluorescent Materials
Authors: Rosabiela Irfa Andina | Sarawut Kingchok | Kritapas Laohhasurayotin | Nisanart Traiphol | Rakchart Traiphol
Source: Colloids and Surfaces A Physicochemical and Engineering Aspects (article, 2022-05-02)
Field: Chemistry — Organic Chemistry

Multi-reversible thermochromic polydiacetylene-CuZnFe2O4 magnetic nanocomposites with tunable colorimetric response to acid-base Thermochromism ; Polydiacetylenes ; Materials science ; Nanocomposite ; Base (topology) ; Nanotechnology ; Optoelectronics ; Polymer ; Chemistry ; Organic chemistry ; Composite material Polydiacetylene-based materials and applications ; Ocular Surface and Contact Lens ; Supramolecular Self-Assembly in Materials
Authors: Adrian-Nicolae Rotariu | Eugen Trană | Liviu Matache
Source: Materials (article, 2022-04-22)
Field: Materials Science — Materials Chemistry

Young’s Modulus Calculus Using Split Hopkinson Bar Tests on Long and Thin Material Samples Young's modulus is a key parameter of materials. The method of its calculation in the current paper is concerned with the mismatch of the mechanical impedance at the bar/specimen interface for a compression SHPB (split Hopkinson pressure bar) test. By using long and thin specimens, the signal recorded in the transmission bar presents itself as a multistep signal. The ratio between the heights of two successive steps represents the experimental data that are considered in the formula of the elastic modulus this article is devoted to. The oscillatory nature of the real signals on the horizontal or quasi-horizontal segments prevents a precise determination of the two successive step heights ratio. A fine tuning of this value is made based on the characteristic time necessary for the signal to rise from one level to the next one. The FEM (Finite Element Method) simulations are also used in calculation of the Poisson coefficient of the tested complex concentrated alloy. Bar (unit) ; Modulus ; Split-Hopkinson pressure bar ; Materials science ; Poisson's ratio ; SIGNAL (programming language) ; Finite element method ; Compression (physics) ; Poisson distribution ; Electrical impedance ; Young's modulus ; Acoustics ; Composite material ; Structural engineering ; Mathematics ; Computer science ; Physics ; Engineering ; Strain rate ; Electrical engineering High-Velocity Impact and Material Behavior ; Metal and Thin Film Mechanics ; Electromagnetic Launch and Propulsion Technology
Authors: Guangluo Guo | Hua Jiang | Liqin Chai | Zhihua Cui | Weiguo Chen
Source: Coloration Technology (article, 2022-04-29)
Field: Materials Science — Materials Chemistry

Design and synthesis of diazirine‐containing dyes for polypropylene fibre: A study on the effect of alkyl chain Abstract The dyeing of polypropylene fabrics utilising conventional‐disperse dyes often meets poor colour yield and fastness problems, fundamentally caused by the low affinity between dyes and polypropylene fibres. In this article, a new class of hydrophobic reactive dyes that can react with polypropylene were designed using diazirine moiety as a reactive group, azo structure as a chromophore, and an ester group as a linking bridge. The difference among these dyes was the alkyl chain length on the azo chromophore, which was used to fine‐tune the affinity between the dyes and fibre. The structures of the synthesised dyes and intermediates were characterised and confirmed using nuclear magnetic resonance, mass spectrometry, and infrared spectrometry. The absorption and thermal properties of the dyes were also studied to ensure their feasibility for dyeing application. In addition, the diazirine dyes were successfully applied to dye polypropylene fabrics using a two‐step process by dyeing in a non‐aqueous solvent and fixing it under heating. The dyes and polypropylene fibre were demonstrated to react, where the fixation values were in the range 64.5–76.4%. The systematic study of the structure–property relationship demonstrated the positive effect of the alkyl chain in promoting colour yield, however, accompanied by a slightly reduced fixation value. Due to the chemical bonding of the dye molecules to the fibre, the dyed polypropylene fabrics exhibited excellent colour fastness property, making the dyeing technology very promising for future industrial applications. Dyeing ; Polypropylene ; Alkyl ; Chemistry ; Chromophore ; Diazirine ; Polymer chemistry ; Moiety ; Reactive dye ; Solvent ; Chemical engineering ; Organic chemistry ; Photochemistry Photochromic and Fluorescence Chemistry ; Dyeing and Modifying Textile Fibers ; Click Chemistry and Applications
Authors: Guangmin Xie | Yuan Wang | Xinzhe Zhou | Liang He | Huanrong Li
Source: Journal of Luminescence (article, 2022-10-29)
Field: Materials Science — Materials Chemistry

Eu3+/Tb3+ bimetallic complex-doped siloxane-polyether hybrid film for luminescent thermometry Siloxane ; Bimetallic strip ; Luminescence ; Lanthanide ; Materials science ; Doping ; Chemical engineering ; Nanotechnology ; Ion ; Optoelectronics ; Organic chemistry ; Polymer ; Composite material ; Chemistry ; Metallurgy Lanthanide and Transition Metal Complexes ; Luminescence Properties of Advanced Materials ; Luminescence and Fluorescent Materials
Authors: Stephan Hagspiel | Felipe Fantuzzi | Merle Arrowsmith | Annalena Gärtner | Maximilian Fest | Jonas Weiser | Bernd Engels | Holger Helten | Holger Braunschweig
Source: Chemistry - A European Journal (article, 2022-06-02)
Field: Materials Science — Materials Chemistry

Modulation of the Naked‐Eye and Fluorescence Color of a Protonated Boron‐Doped Thiazolothiazole by Anion‐Dependent Hydrogen Bonding The reaction of a cyclic alkyl(amino)carbene (CAAC)-stabilized thiazaborolo[5,4-d]thiazaborole (TzbTzb) with strong Brønsted acids, such as HCl, HOTf (Tf=O<sub>2</sub> SCF<sub>3</sub> ) and [H(OEt<sub>2</sub> )<sub>2</sub> ][BAr<sup>F</sup> <sub>4</sub> ] (Ar<sup>F</sup> =3,5-(CF<sub>3</sub> )<sub>2</sub> C<sub>6</sub> H<sub>3</sub> ), results in the protonation of both TzbTzb nitrogen atoms. In each case X-ray crystallographic data show coordination of the counteranions (Cl<sup>-</sup> , OTf<sup>-</sup> , BAr<sup>F</sup> <sub>4</sub> <sup>-</sup> ) or solvent molecules (OEt<sub>2</sub> ) to the doubly protonated fused heterocycle via hydrogen-bonding interactions, the strength of which strongly influences the <sup>1</sup> H NMR shift of the NH protons, enabling tuning of both the visible (yellow to red) and fluorescence (green to red) colors of these salts. DFT calculations reveal that the hydrogen bonding of the counteranion or solvent to the protonated nitrogen centers affects the intramolecular TzbTzb-to-CAAC charge transfer character involved in the S<sub>0</sub> →S<sub>1</sub> transition, ultimately enabling fine-tuning of their absorption and emission spectral features. Naked eye ; Boron ; Hydrogen bond ; Fluorescence ; Doping ; Protonation ; Ion ; Photochemistry ; Materials science ; Chemistry ; Modulation (music) ; Optoelectronics ; Molecule ; Optics ; Physics ; Organic chemistry Luminescence and Fluorescent Materials ; Conducting polymers and applications ; Organic Light-Emitting Diodes Research
Authors: Emmanuel Oheix | Chloé Reicher | Habiba Nouali | Laure Michelin | Ludovic Josien | T. Jean Daou | Laurent Pieuchot
Source: Journal of Functional Biomaterials (article, 2022-06-02)
Field: Materials Science — Materials Chemistry

Rational Design and Characterisation of Novel Mono- and Bimetallic Antibacterial Linde Type A Zeolite Materials The development of antimicrobial devices and surfaces requires the setup of suitable materials, able to store and release active principles. In this context, zeolites, which are microporous aluminosilicate minerals, hold great promise, since they are able to serve as a reservoir for metal-ions with antimicrobial properties. Here, we report on the preparation of Linde Type A zeolites, partially exchanged with combinations of metal-ions (Ag<sup>+</sup>, Cu<sup>2+</sup>, Zn<sup>2+</sup>) at different loadings (0.1-11.9 wt.%). We combine X-ray fluorescence, scanning electron microscopy, energy-dispersive X-ray spectroscopy, and X-ray diffraction to monitor the metal-ion contents, distribution, and conservation of the zeolite structure after exchange. Then, we evaluate their antimicrobial activity, using agar dilution and optical-density monitoring of <i>Escherichia coli</i> cultures. The results indicate that silver-loaded materials are at least 70-fold more active than the copper-, zinc-, and non-exchanged ones. Moreover, zeolites loaded with lower Ag<sup>+</sup> concentrations remain active down to 0.1 wt.%, and their activities are directly proportional to the total Ag content. Sequential exchanges with two metal ions (Ag<sup>+</sup> and either Cu<sup>2+</sup>, Zn<sup>2+</sup>) display synergetic or antagonist effects, depending on the quantity of the second metal. Altogether, this work shows that, by combining analytical and quantitative methods, it is possible to fine-tune the composition of bi-metal-exchanged zeolites, in order to maximise their antimicrobial potential, opening new ways for the development of next-generation composite zeolite-containing antimicrobial materials, with potential applications for the design of dental or bone implants, as well as biomedical devices and pharmaceutical products. Zeolite ; Materials science ; Microporous material ; Bimetallic strip ; Ion exchange ; Metal ; Copper ; Aluminosilicate ; Metal ions in aqueous solution ; Context (archaeology) ; Zinc ; Chemical engineering ; Nanotechnology ; Nuclear chemistry ; Ion ; Chemistry ; Composite material ; Metallurgy ; Organic chemistry ; Catalysis Nanoparticles: synthesis and applications ; Bone Tissue Engineering Materials ; Advanced Nanomaterials in Catalysis
Authors: Yulian Zhang | Shilin Zhang | Huiting Wu | Xue Dong | Peichen Shi | Hang Qu | Yuqing Chen | Xiaoyu Cao | Zhong‐Qun Tian | Xiaolan Hu | Liulin Yang
Source: Journal of the American Chemical Society (article, 2022-10-12)
Field: Chemistry — Inorganic Chemistry

Evolution of Transient Luminescent Assemblies Regulated by Trace Water in Organic Solvents Trace water in organic solvents can play a crucial role in the construction of supramolecular assemblies, which has not gained enough attention until very recent years. Herein, we demonstrate that residual water in organic solvents plays a decisive role in the regulation of the evolution of assembled structures and their functionality. By adding Mg(ClO<sub>4</sub>)<sub>2</sub> into a multi-component organic solution containing terpyridine-based ligand <b>3Tpy</b> and monodentate imidazole-based ligand <b>M2</b>, the system underwent an unexpected kinetic evolution. Metallo-supramolecular polymers (<b>MSP</b>) formed first by the coordination of <b>3Tpy</b> and Mg<sup>2+</sup>, but they subsequently decomposed due to the interference of <b>M2</b>, resulting in a transient <b>MSP</b> system. Further investigation revealed that this occurred because residual water in the solvent and <b>M2</b> cooperatively coordinated with Mg<sup>2+</sup>. This allowed <b>M2</b> to capture Mg<sup>2+</sup> from <b>MSP</b>, which led to depolymerization. However, owing to the slow reaction between trace water/<b>M2</b>/Mg<sup>2+</sup>, the formation of <b>MSP</b> still occurred first. Therefore, water regulated both the thermodynamics and kinetics of the system and was the key factor for constructing the transient <b>MSP</b>. Fine-tuning the water content and other assembly motifs regulated the assembly evolution pathway, tuned the <b>MSP</b> lifetime, and made the luminescent color of the system undergo intriguing transition processes over time. Chemistry ; Supramolecular chemistry ; Ligand (biochemistry) ; Terpyridine ; Luminescence ; Depolymerization ; Solvent ; Denticity ; Kinetics ; Photochemistry ; Chemical engineering ; Polymer chemistry ; Metal ; Organic chemistry ; Crystal structure ; Materials science Metal-Organic Frameworks: Synthesis and Applications ; Supramolecular Chemistry and Complexes ; Supramolecular Self-Assembly in Materials
Authors: Fajar Inggit Pambudi
Source: Inorganic Chemistry Communications (article, 2022-07-19)
Field: Chemistry — Inorganic Chemistry

Electronic properties of heterometallic zeolitic imidazolate framework and its encapsulation with Ni, Pd and Pt Band gap ; Doping ; Metal ; Zeolitic imidazolate framework ; Density functional theory ; Charge density ; Materials science ; Atomic radius ; Electronic structure ; Electronic band structure ; Density of states ; van der Waals force ; Chemistry ; Chemical physics ; Inorganic chemistry ; Physical chemistry ; Computational chemistry ; Condensed matter physics ; Metal-organic framework ; Molecule ; Adsorption ; Metallurgy Metal-Organic Frameworks: Synthesis and Applications ; Magnetism in coordination complexes ; Organic and Molecular Conductors Research
Authors: Marwa M. Sayed | Mohamed Abdel‐Hakim | Mahmoud H. Mahross | Kamal I. Aly
Source: Scientific Reports (article, 2022-07-27)
Field: Materials Science — Polymers and Plastics

Synthesis, physico-chemical characterization, and environmental applications of meso porous crosslinked poly (azomethine-sulfone)s To develop innovative mesoporous crosslinked poly(azomethine- sulfone)s with environmental applications, a simple Schiff base condensation technique based on barbituric acid BA or condensed terephthaldehyde barbituric acid TBA in their structures as monomeric units are applied. Different analysis methodologies and viscosity measurements identify them as having stronger heat stability and an amorphous structure. The photophysical features of the multi stimuli response MSR phenomenon are observable, with white light emission at higher concentrations and blue light emission at lower concentrations. Their emission characteristics make them an excellent metal ions sensor through diverse charge transfer methods. They can have a better inhibition efficiency and be employed as both mixed-type and active corrosion inhibitors according to their fluorescence emission with metals, demonstrating their capacity to bind with diverse metals. The adsorption of two distinct dye molecules, Methylene blue MB cationic and sunset yellow SY anionic, on the mesoporous structures of the polymers is investigated, revealing their selectivity for MB dye adsorption. Quantum studies support these amazing discoveries, demonstrating a crab-like monomeric unit structure for the one that is heavily crosslinked. Monomer ; Cationic polymerization ; Mesoporous material ; Polymer ; Methylene blue ; Barbituric acid ; Chemistry ; Adsorption ; Fluorescence ; Photochemistry ; Materials science ; Chemical engineering ; Polymer chemistry ; Organic chemistry ; Photocatalysis Conducting polymers and applications ; Polymer composites and self-healing ; Luminescence and Fluorescent Materials
Authors: Dorina F. Sava Gallis | Kimberly S. Butler | Charles J. Pearce | Nichole Valdez | Mark A. Rodriguez
Source: ACS Applied Materials & Interfaces (article, 2022-02-16)
Field: Materials Science — Materials Chemistry

Programmable Photoluminescence via Intrinsic and DNA–Fluorophore Association in a Mixed Cluster Heterometallic MOF A rapid and facile design strategy to create a highly complex optical tag with programmable, multimodal photoluminescent properties is described. This was achieved via intrinsic and DNA-fluorophore hidden signatures. As a first covert feature of the tag, an intricate novel heterometallic near-infrared (NIR)-emitting mesoporous metal-organic framework (MOF) was designed and synthesized. The material is constructed from two chemically distinct, homometallic hexanuclear clusters based on Nd and Yb. Uniquely, the Nd-based cluster is observed here for the first time in a MOF and consists of two staggered Nd μ<sub>3</sub>-oxo trimers. To generate controlled, multimodal, and tailorable emission with difficult to counterfeit features, the NIR-emissive MOF was post-synthetically modified via a fluorescent DNA oligo labeling design strategy. The surface attachment of several distinct fluorophores, including the simultaneous attachment of up to three distinct fluorescently labeled oligos was achieved, with excitation and emission properties across the visible spectrum (480-800 nm). The DNA inclusion as a secondary covert element in the tag was demonstrated via the detection of SYBR Gold dye association. Importantly, the approach implemented here serves as a rapid and tailorable way to encrypt distinct information in a facile and modular fashion and provides an innovative technology in the quest toward complex optical tags. Fluorophore ; Materials science ; Photoluminescence ; Fluorescence ; Nanotechnology ; Oligonucleotide ; Footprinting ; DNA ; Optoelectronics ; Chemistry Nanocluster Synthesis and Applications ; Metal-Organic Frameworks: Synthesis and Applications ; Advanced Nanomaterials in Catalysis
Authors: Hao Zhang | Cha Li | Yang Li | Jiandong Pang | Xian−He Bu
Source: Catalysts (article, 2022-11-02)
Field: Chemistry — Inorganic Chemistry

The Advanced Synthesis of MOFs-Based Materials in Photocatalytic HER in Recent Three Years Since the advent of metal–organic frameworks (MOFs), researchers have paid extensive attention to MOFs due to their determined structural composition, controllable pore size, and diverse physical and chemical properties. Photocatalysis, as a significant application of MOFs catalysts, has developed rapidly in recent years and become a research hotspot continuously. Various methods and approaches to construct and modify MOFs and their derivatives can not only affect the structure and morphology, but also largely determine their properties. Herein, we summarize the advanced synthesis of MOFs-based materials in the field of the photocatalytic decomposition of water to produce hydrogen in the recent three years. The main contents include the overview of the novel synthesis strategies in four aspects: internal modification and structure optimization of MOFs materials, MOFs/semiconductor composites, MOFs/COFs-based hybrids, and MOFs-derived materials. In addition, the problems and challenges faced in this direction and the future development goals were also discussed. We hope this review will help deepen the reader’s understanding and promote continued high-quality development in this field. Photocatalysis ; Nanotechnology ; Metal-organic framework ; Materials science ; Biochemical engineering ; Chemistry ; Catalysis ; Engineering ; Organic chemistry Metal-Organic Frameworks: Synthesis and Applications ; Advanced Photocatalysis Techniques ; Gas Sensing Nanomaterials and Sensors
Authors: Mika Sakai | Masayoshi Mori | Masato Hirai | Naoki Ando | Shigehiro Yamaguchi
Source: Chemistry - A European Journal (article, 2022-04-12)
Field: Chemistry — Organic Chemistry

Planarized Phenyldithienylboranes: Effects of the Bridging Moieties and π‐Extension on the Photophysical Properties and Lewis Acidity Two kinds of planarized phenyldithienylboranes, which contain (CH<sub>3</sub> )<sub>2</sub> C- or CH<sub>2</sub> -bridging moieties, were synthesized. The difference of the bridging moieties affects their packing structures and photophysical properties. In particular, the (CH<sub>3</sub> )<sub>2</sub> C-bridged derivative exhibits a large Stokes shift, unusual for such planarized compounds, that results from a large structural relaxation in the excited state. A series of π-extended derivatives was synthesized, among which a p-(diphenylamino)phenyl-substituted derivative shows large solvatochromism in the fluorescence spectra, while maintaining high quantum yields even in polar solvents. The Lewis acidity of the phenyldithienylborane derivatives was also assessed by titration with pyridine. The Lewis acidity of the boron center is affected not only by the difference in the steric bulk of the bridging moieties, but also by the electronic effect of the substituents introduced at remote positions relative to the boron atom. These results demonstrate the characteristic features of planarized phenyldithienylboranes as building blocks for boron-based π-electron materials. Stokes shift ; Chemistry ; Pyridine ; Solvatochromism ; Excited state ; Steric effects ; Lewis acids and bases ; Photochemistry ; Fluorescence ; Boron ; Stereochemistry ; Molecule ; Organic chemistry Organoboron and organosilicon chemistry ; Luminescence and Fluorescent Materials ; Synthesis and Properties of Aromatic Compounds