jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Limosani Francesca | Francesca Tessore | Alessandra Forni | Angelo Lembo | Gabriele Di Carlo | Cecilia Albanese | Stefano Bellucci | Pietro Tagliatesta
Source: Materials (article, 2023-08-02)
Field: Materials Science — Materials Chemistry

Nonlinear Optical Properties of Zn(II) Porphyrin, Graphene Nanoplates, and Ferrocene Hybrid Materials Following some previous work by some of us on the second order nonlinear optical (NLO) properties of Zn(II) <i>meso</i>-tetraphenylporphyrin (ZnP), fullerene, and ferrocene (Fc) diads and triads, in the present research, we explore the NLO response of some new hybrids with two-dimensional graphene nanoplates (GNP) instead of a zero-dimensional fullerene moiety as the acceptor unit. The experimental data, collected by Electric Field Induced Second Harmonic generation (EFISH) technique in CH<sub>2</sub>Cl<sub>2</sub> solution with a 1907 nm incident wavelength, combined with Coupled-Perturbed (CP) and Finite Field (FF) Density Functional Theory (DFT) calculations, show a strongly enhanced contribution of the cubic electronic term γ(-2ω; ω, ω, 0), due to the extended π-conjugation of the carbonaceous acceptor moiety. Ferrocene ; Moiety ; Porphyrin ; Density functional theory ; Materials science ; Graphene ; Fullerene ; Acceptor ; Tetraphenylporphyrin ; Nonlinear optical ; Second-harmonic generation ; Photochemistry ; Nonlinear system ; Computational chemistry ; Nanotechnology ; Chemistry ; Physical chemistry ; Electrochemistry ; Condensed matter physics ; Organic chemistry ; Physics ; Optics ; Electrode Porphyrin and Phthalocyanine Chemistry ; Nonlinear Optical Materials Research ; Nonlinear Optical Materials Studies
Authors: Benedikt Baumgartner | Viktorija Glembockyte | Robert J. Mayer | Alberto J. Gonzalez-Hernandez | Robert Kindler | Abha Valavalkar | Alexander Wiegand | Adrian Müller‐Deku | Lutz Grubert | Florian Steiner | Christoph Groß | Martin Reynders | Vincent Grenier | Johannes Broichhagen | Stefan Hecht | Philip Tinnefeld | Armin R. Ofial | Benjamin Dietzek‐Ivanšić | Joshua Levitz | Oliver Thorn‐Seshold
Source: ChemRxiv (preprint, 2023-09-13)
Field: Materials Science — Materials Chemistry

Azobenzenes can achieve near-infrared photocontrol in biological systems, with quantitative Z→E photoisomerization, via singlet manifold photoredox Here we develop a high-performance approach to photoswitching, by exploiting singlet manifold photoredox between azobenzenes and covalently attached auxiliary chromophores. This enables well-penetrating red/NIR light of 630-740 nm, to which azobenzenes usually do not respond, to perform Z→E photoisomerisation that is also 100% complete and highly photon-efficient. Crucially, this process is biocompatible, tolerates molecular oxygen, is photostable, and it avoids the drawbacks of triplet photochemistry; and substituent patterns of azobenzenes do not need re-engineering to harness it. We provide a library of redox potentials to predict photoredox performance, show its tolerance to linker length, and show that E→Z-promoting tetra-ortho-substitutions can be combined with photoredox to give fast and efficient bidirectional Z⇄E photoswitches for the visible/NIR. We then demonstrate the first use of single photon NIR light for reversible photopharmaceutical control in live cells under physiological conditions, by modulating G protein-coupled receptor activity. These stringent assays show singlet photoredox switching is a robust method for NIR photocontrol that should find high-performance applications in materials, in biophysics, and for "chemical optogenetics v2.0" in living systems. Photoisomerization ; Singlet oxygen ; Photochemistry ; Chromophore ; Singlet state ; Chemistry ; Optogenetics ; Opsin ; Covalent bond ; Retinal ; Isomerization ; Rhodopsin ; Oxygen ; Excited state ; Physics ; Organic chemistry Photochromic and Fluorescence Chemistry ; Photoreceptor and optogenetics research ; Nanoplatforms for cancer theranostics
Authors: Maria Rosaria Sellitto | Chiara Amante | Rita Patrizia Aquino | Paola Russo | Rosalía Rodríguez-Dorado | Monica Neagu | Carlos A. García‐González | Renata Adami | Pasquale Del Gaudio
Source: Gels (article, 2023-06-16)
Field: Chemistry — Spectroscopy

Hollow Particles Obtained by Prilling and Supercritical Drying as a Potential Conformable Dressing for Chronic Wounds The production of aerogels for different applications has been widely known, but the use of polysaccharide-based aerogels for pharmaceutical applications, specifically as drug carriers for wound healing, is being recently explored. The main focus of this work is the production and characterization of drug-loaded aerogel capsules through prilling in tandem with supercritical extraction. In particular, drug-loaded particles were produced by a recently developed inverse gelation method through prilling in a coaxial configuration. Particles were loaded with ketoprofen lysinate, which was used as a model drug. The core-shell particles manufactured by prilling were subjected to a supercritical drying process with CO<sub>2</sub> that led to capsules formed by a wide hollow cavity and a tunable thin aerogel layer (40 μm) made of alginate, which presented good textural properties in terms of porosity (89.9% and 95.3%) and a surface area up to 417.0 m<sup>2</sup>/g. Such properties allowed the hollow aerogel particles to absorb a high amount of wound fluid moving very quickly (less than 30 s) into a conformable hydrogel in the wound cavity, prolonging drug release (till 72 h) due to the in situ formed hydrogel that acted as a barrier to drug diffusion. Aerogel ; Conformable matrix ; Supercritical fluid ; Materials science ; Drug delivery ; Nanotechnology ; Chemical engineering ; Supercritical drying ; Porosity ; Composite material ; Chemistry ; Organic chemistry Aerogels and thermal insulation ; Electrospun Nanofibers in Biomedical Applications ; Wound Healing and Treatments
Authors: Guan-Hong Chen | Chen‐Te Lin | Po-Hsun Chen | Tyng‐Woei Jang | Hsueh‐Shih Chen
Source: Nanomaterials (article, 2023-12-03)
Field: Materials Science — Materials Chemistry

General Strategies for Preparing Hybrid Polymer/Quantum Dot Nanocomposites for Color Conversion Quantum dots (QDs), with their exceptional optical properties, have emerged as promising candidates to replace traditional phosphors in lighting and display technologies. This study delves into the integration strategies of QDs within glass and polymer matrices to engineer advanced quantum dot color converters (QDCCs) at the industrial scale for practical applications. To achieve enhancements in the photostability and thermal stability of QDCCs, we explore two distinct approaches: the dispersion of QDs in a hydrophilic glass matrix via a sol-gel process and the incorporation of QDs into a non-polar acrylate monomer to formulate QD/polymer nanocomposites. This research further investigates the optical behaviors of these composites, focusing on their light-scattering and propagation mechanisms, which are critical for optimizing light extraction efficiency in QDCCs. Additional optical film and light-scattering particles can improve color conversion efficiency by ~140%. These advancements present a significant step forward in the development of high-performance, energy-efficient, QD-based lighting and display systems. Quantum dot ; Materials science ; Nanocomposite ; Polymer ; Optoelectronics ; Polymer nanocomposite ; Dispersion (optics) ; Light scattering ; Nanotechnology ; Scattering ; Optics ; Composite material Quantum Dots Synthesis And Properties ; Carbon and Quantum Dots Applications ; Luminescence and Fluorescent Materials
Authors: Hongshen Xie | Hongye Yuan | Liujie Xu
Source: Chemistry - An Asian Journal (review, 2023-10-27)
Field: Chemistry — Inorganic Chemistry

Direct Synthesis of Metal–Organic Framework Sols: Advances and Perspectives The intrinsic lack of processability in the conventional nano/microcrystalline powder form of metal-organic frameworks (MOFs) greatly limits their application in various fields. Synthesis of MOFs with certain flowability make them promising for multitudinous applications. The direct synthesis strategy represents one of the simplest and efficient method for synthesizing solution processable MOF sols/suspensions, compared with other approaches, for instance, the post-synthesis surface modification, the direct dispersion of MOFs in hindered ionic liquids, as well as the calcination method toward a few MOFs with melting behavior. This article reviews the recent direct synthesis strategies of solution processable MOF sols and their typical applications in different fields. The direct synthesis strategies of MOF sols can be classified into two categories: particle size reduction strategy, and selective coordination strategy. The synthesis mechanism of different strategies and the factors affecting the formation of sols are summarized. The application of solution processable MOF sols in different fields are introduced, showing great application potentials. Furthermore, the challenges faced by the direct synthesis of MOF sols and the main methods to deal with the challenges are emphasized, and the future development trend is prospected. Materials science ; Nanotechnology ; Calcination ; Metal-organic framework ; Dispersion (optics) ; Microcrystalline ; Adsorption ; Catalysis ; Chemistry ; Organic chemistry Metal-Organic Frameworks: Synthesis and Applications ; Catalytic Processes in Materials Science ; Advanced Nanomaterials in Catalysis
Authors: Sara M. Franzén | Linnéa Jönsson | Pau Ternero | Monica Kåredal | Axel Eriksson | Sara Blomberg | Julia‐Maria Hübner | Maria E. Messing
Source: Nanoscale Advances (article, 2023-01-01)
Field: Materials Science — Materials Chemistry

Compositional tuning of gas-phase synthesized Pd–Cu nanoparticles Bimetallic nanoparticles have gained significant attention in catalysis as potential alternatives to expensive catalysts based on noble metals. In this study, we investigate the compositional tuning of Pd-Cu bimetallic nanoparticles using a physical synthesis method called spark ablation. By utilizing pure and alloyed electrodes in different configurations, we demonstrate the ability to tailor the chemical composition of nanoparticles within the range of approximately 80 : 20 at% to 40 : 60 at% (Pd : Cu), measured using X-ray fluorescence (XRF) and transmission electron microscopy energy dispersive X-ray spectroscopy (TEM-EDXS). Time-resolved XRF measurements revealed a shift in composition throughout the ablation process, potentially influenced by material transfer between electrodes. Powder X-ray diffraction confirmed the predominantly fcc phase of the nanoparticles while high-resolution TEM and scanning TEM-EDXS confirmed the mixing of Pd and Cu within individual nanoparticles. X-ray photoelectron and absorption spectroscopy were used to analyze the outermost atomic layers of the nanoparticles, which is highly important for catalytic applications. Such comprehensive analyses offer insights into the formation and structure of bimetallic nanoparticles and pave the way for the development of efficient and affordable catalysts for various applications. Nanoparticle ; Materials science ; Phase (matter) ; Catalysis ; Spectroscopy ; Nanotechnology ; Mixing (physics) ; Chemical engineering ; Analytical Chemistry (journal) ; Chemistry ; Chromatography ; Organic chemistry Catalytic Processes in Materials Science ; nanoparticles nucleation surface interactions ; Laser-Ablation Synthesis of Nanoparticles
Authors: Vladislava A. Kirkina | Vasilisa A. Kulikova | Evgenii I. Gutsul | Zufar N. Gafurov | I. F. Sakhapov | Dmitry G. Yakhvarov | Yulia V. Nelyubina | Oleg A. Filippov | Elena S. Shubina | Natalia V. Belkova
Source: Inorganics (article, 2023-05-15)
Field: Chemistry — Inorganic Chemistry

The Role of Non-Covalent Interactions in the Reactions between Palladium Hydrido Complex with Amidoarylphosphine Pincer Ligand and Brønsted Acids The interaction between (PNP)PdH (1); PNP = bis(2-diisopropylphosphino-4-methylphenyl)amide and different acids (CF3SO3H, HBF4∙Et2O, fluorinated alcohols and formic acid) was studied in benzene or toluene as well as in neat alcohols by IR and NMR spectroscopies. The structures of hydrogen-bonded complexes were also optimized at the DFT/ωB97-XD/def2-TZVP level. The nitrogen atom of the amidophosphine pincer ligand readily accepts proton not only from strong Brønsted acids but from relatively weak fluorinated alcohols. That suggests that binding to palladium(II) increases the diarylamine basicity, making it a strong base. Nevertheless, H+ can be taken from [(PN(H)P)PdH]+ (2) by pyridine or hexamethylphosphoramide (HMPA). These observations confirm the need for a shuttle base to form [(PN(H)P)PdH]+ (2) as the result of the heterolytic splitting of H2 by [(PNP)Pd]+. At that, a stoichiometric amount of formic acid protonates a hydride ligand yielding an unstable η2-H2 complex that rapidly converts into formate (PNP)Pd(OCHO), which loses CO2 to restore (PNP)PdH, whereas the relatively high acid excess hampers this reaction through competitive protonation at nitrogen atom. Chemistry ; Pincer movement ; Pincer ligand ; Palladium ; Protonation ; Medicinal chemistry ; Ligand (biochemistry) ; Formic acid ; Pyridine ; Hydride ; Triflic acid ; Formate ; Heterolysis ; Lewis acids and bases ; Catalysis ; Photochemistry ; Hydrogen ; Organic chemistry Asymmetric Hydrogenation and Catalysis ; Organometallic Complex Synthesis and Catalysis ; Carbon dioxide utilization in catalysis
Authors: Supriya Atta | Tuan Vo‐Dinh
Source: The Analyst (article, 2023-01-01)
Field: Materials Science — Electronic, Optical and Magnetic Materials

A hybrid plasmonic nanoprobe using polyvinylpyrrolidone-capped bimetallic silver–gold nanostars for highly sensitive and reproducible solution-based SERS sensing This work describes a highly sensitive and reproducible solution-based SERS sensing platform utilizing polyvinylpyrrolidone (PVP) capped bimetallic silver–gold nanostars. Polyvinylpyrrolidone ; Bimetallic strip ; Nanoprobe ; Plasmon ; Materials science ; Nanotechnology ; Colloidal gold ; Nanoparticle ; Optoelectronics ; Polymer chemistry ; Metal ; Metallurgy Gold and Silver Nanoparticles Synthesis and Applications ; Nanocluster Synthesis and Applications ; Laser-Ablation Synthesis of Nanoparticles
Authors: Martina Angermann | Georg Jakopič | Christine Prietl | Thomas Grießer | Klaus Reichmann | Marco Deluca
Source: Journal of Sol-Gel Science and Technology (article, 2023-09-16)
Field: Materials Science — Materials Chemistry

Highly conductive RuO2 thin films from novel facile aqueous chemical solution deposition Abstract Ruthenium dioxide (RuO 2 ) thin films were synthesized by Chemical Solution Deposition (CSD) on silicon substrates using only water and acetic acid as solvents. The microstructure, phase purity, electrical and optical properties as well as the thermal stability of the thin films have been characterized. The microstructure of the thin films strongly depends on the annealing temperature: A smooth thin film was achieved at an annealing temperature of 600 °C. Higher annealing temperatures (800 °C) led to radial grain growth and an inhomogeneous thin film. A very low resistivity of 0.89 µΩm was measured for a 220 nm-thick thin film prepared at 600 °C. The resistivity of the thin films increases with temperature, which indicates metallic behavior. Phase purity of the thin films was confirmed with X-ray Diffraction (XRD) measurements, X-ray Photoelectron Spectroscopy (XPS) and Raman spectroscopy. Transmission and reflectivity measurements indicate that RuO 2 efficiently blocks the UV-VIS and IR wavelengths. The optical constants determined via spectroscopic ellipsometry show high absorption in the near-IR region as well as a lower one in the UV-VIS region. The thermal stability was investigated by post-annealing, confirming that the thin films are stable up to 750 °C in synthetic air. Graphical Abstract Thin film ; X-ray photoelectron spectroscopy ; Materials science ; Annealing (glass) ; Raman spectroscopy ; Analytical Chemistry (journal) ; Microstructure ; Electrical resistivity and conductivity ; Carbon film ; Thermal stability ; Combustion chemical vapor deposition ; Chemical engineering ; Nanotechnology ; Optics ; Composite material ; Chemistry ; Organic chemistry Copper-based nanomaterials and applications ; Semiconductor materials and devices ; Electrocatalysts for Energy Conversion
Authors: Yawen Zhan | Guobin Zhang | Junda Shen | Binbin Zhou | Chenghao Zhao | Junmei Guo | Ming Wen | Zhilong Tan | Lirong Zheng | Jian Lü | Yang Yang Li
Source: Nano Materials Science (article, 2023-09-15)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Facile electrochemical surface-alloying and etching of Au wires to enable high-performance substrates for surface enhanced Raman scattering Surface-enhanced Raman Spectroscopy (SERS) is a nondestructive technique for rapid detection of analytes even at the single-molecule level. However, highly sensitive and reliable SERS substrates are mostly fabricated with complex nanofabrication techniques, greatly restricting their practical applications. A convenient electrochemical method for transforming the surface of commercial gold wires/foils into silver-alloyed nanostructures is demonstrated in this report. Au substrates are treated with repetitive anodic and cathodic bias in an electrolyte of thiourea, in a one-pot one-step manner. X-rays absorption fine structure (XAFS) spectroscopy confirms that the AuAg alloy is induced at the surface. The unique AuAg alloyed surface nanostructures are particularly advantageous when served as SERS substrates, enabling a remarkably sensitive detection of Rhodamine B (a detection limit of 10−14 ​M, and uniform strong response throughout the substrates at 10−12 ​M). Materials science ; Raman scattering ; Nanostructure ; Raman spectroscopy ; Nanotechnology ; Electrochemistry ; Etching (microfabrication) ; Detection limit ; Surface-enhanced Raman spectroscopy ; Chemical engineering ; Optics ; Chemistry ; Electrode Gold and Silver Nanoparticles Synthesis and Applications ; Electrocatalysts for Energy Conversion ; Electrochemical Analysis and Applications
Authors: Frida Hemstad Danmo | Inger‐Emma Nylund | Aamund Westermoen | Kenneth P. Marshall | Dragos Stoian | Tor Grande | Julia Glaum | Sverre M. Selbach
Source: ACS Applied Materials & Interfaces (article, 2023-08-28)
Field: Materials Science — Materials Chemistry

Oxidation Kinetics of Nanocrystalline Hexagonal RMn<sub>1–<i>x</i></sub>Ti<sub><i>x</i></sub>O<sub>3</sub> (R = Ho, Dy) Hexagonal manganites, RMnO<sub>3</sub> (R = Sc, Y, Ho-Lu), are potential oxygen storage materials for air separation due to their reversible oxygen storage and release properties. Their outstanding ability to absorb and release oxygen at relatively low temperatures of 250-400 °C holds promise of saving energy compared to current industrial methods. Unfortunately, the low temperature of operation also implies slow kinetics of oxygen exchange in these materials, which would make them inefficient in applications such as chemical looping air separation. Here, we show that the oxidation kinetics of RMnO<sub>3</sub> can be improved through Ti<sup>4+</sup>-doping as well as by increasing the rare earth cation size. The rate of oxygen absorption of nanocrystalline RMn<sub>1-<i>x</i></sub>Ti<sub><i>x</i></sub>O<sub>3</sub> (R = Ho, Dy; <i>x</i> = 0, 0.15) was investigated by thermogravimetric analysis, X-ray absorption near-edge structure, and high-temperature X-ray diffraction (HT-XRD) with in situ switching of atmosphere from N<sub>2</sub> to O<sub>2</sub>. The kinetics of oxidation increases for larger R and even more with Ti<sup>4+</sup> donor doping, as both induce expansion of the <i>ab</i>-plane, which reduces the electrostatic repulsion between oxygen in the lattice upon oxygen ion migration. Surface exchange rates and activation energies of oxidation were determined from changes in lattice parameters observed through HT-XRD upon in situ switching of atmosphere. Materials science ; Nanocrystalline material ; Oxygen ; Kinetics ; Oxygen storage ; Analytical Chemistry (journal) ; Activation energy ; Absorption (acoustics) ; Nanotechnology ; Physical chemistry ; Chemistry Electronic and Structural Properties of Oxides ; Advancements in Solid Oxide Fuel Cells ; Magnetic and transport properties of perovskites and related materials
Authors: Hongye Chen | Luis Martín‐Gomis | Zhiyun Xu | Jan C. Fischer | Ian A. Howard | David Herrero | Víctor Sobrino-Bastán | Ángela Sastre‐Santos | Ritesh Haldar | Christof Wöll
Source: Physical Chemistry Chemical Physics (article, 2023-01-01)
Field: Chemistry — Inorganic Chemistry

Tunable J-type aggregation of silicon phthalocyanines in a surface-anchored metal–organic framework thin film Organic chromophores and semiconductors, like anthracene, pentacene, perylene, and porphyrin, are prone to aggregation, and their packing in the solid state is often hard to predict and difficult to control. As the condensed phase structures of these chromophores and semiconductors are of crucial importance for their optoelectronic functionality, strategies to control their assembly and provide new structural motifs are important. One such approach uses metal-organic frameworks (MOFs); the organic chromophore is converted into a linker and connected by metal ions or nodes. The spatial arrangement of the organic linkers can be well-defined in a MOF, and hence optoelectronic functions can be adjusted accordingly. We have used such a strategy to assemble a phthalocyanine chromophore and illustrated that the electronic inter-phthalocyanine coupling can be rationally tuned by introducing bulky side grounds to increase steric hindrance. We have designed new phthalocyanine linkers and using a layer-by-layer liquid-phase epitaxy strategy thin films of phthalocyanine-based MOFs have been fabricated and their photophysical properties explored. It was found that increasing the steric hindrance around the phthalocyanine reduced the effect of J-aggregation in the thin film structures. Thin film ; Metal-organic framework ; Phthalocyanine ; Silicon ; Materials science ; Metal ; Surface (topology) ; Chemical engineering ; Nanotechnology ; Optoelectronics ; Photochemistry ; Chemistry ; Organic chemistry ; Metallurgy ; Engineering Metal-Organic Frameworks: Synthesis and Applications ; Porphyrin and Phthalocyanine Chemistry ; Spectroscopy and Quantum Chemical Studies