jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Jin Quan Tao | Yi Jing Jia | Yan Cui | Tian Yu Bai | XI NAN XUE | Runze Yao | Ya Song Zhou | Qiang Wei
Source: ACS Omega (article, 2024-07-26)
Field: Chemistry — Inorganic Chemistry

Conventional Hydrothermal Synthesis of MFI Zeolite in Methanol Solution The synthesis of zeolites through more efficient, environmentally friendly, and cost-effective methods was deemed significant in both industrial applications and academic fields. Conventional hydrothermal synthesis strategies have encountered difficulties in producing pure silica MFI zeolite (silicalite-1) under amine-free conditions. This was primarily attributed to the competitive growth of quartz, keatite, or magadiite during the crystallization process. In this work, it was found that the lack of nucleation ability was an important reason for the poor crystallization stability of the methanol solution. Well-crystallized silicalite-1 zeolites with uniform particle sizes were achieved through the cooperative guidance of methanol and seed crystals. Large-scale experiments with silicalite-1 zeolite demonstrated good reproducibility. Combined with the TG-IR and N<sub>2</sub> adsorption-desorption results, it was observed that, when an extremely small amount of seed (0.97 wt %) was introduced, methanol could play a role as a crystallization promoter in the hydrothermal synthesis system. Furthermore, a lower alkaline-to-silica ratio and water-to-silica ratio were conducive to the progression of the crystallization process. In summary, this work presented a hydrothermal synthesis strategy for the synthesis of silicalite-1 zeolite in a methanol solution without the need for a large amount of seeds and provided an effective pathway for the low-cost, large-scale production of silicalite-1 zeolite. Zeolite ; Crystallization ; Hydrothermal circulation ; Nucleation ; Hydrothermal synthesis ; Methanol ; Chemical engineering ; Materials science ; Molecular sieve ; Chemistry ; Organic chemistry ; Catalysis Zeolite Catalysis and Synthesis ; Mesoporous Materials and Catalysis ; Catalysis and Oxidation Reactions
Authors: Alexander Huber | Laura S. Schmidt | Tim Gatz | Jana Bublitz | Tobias Rex | Thulaseedharan Nair Sailaja Sidharth | Elisabeth Verheggen | L. Hofmann | Christoph Wölper | Cristian A. Strassert | Shirley K. Knauer | Jens Voskuhl
Source: Chemistry - A European Journal (article, 2024-12-23)
Field: Materials Science — Materials Chemistry

Stepwise Modulation of Bridged Single‐Benzene‐Based Fluorophores for Materials Science In recent years, researchers studying fluorogenic samples have steadily shifted from using large, expensive, poorly soluble fluorophores with complex synthetic sequences to smaller, simpler π scaffolds with low molecular weight. This research article presents an in-depth study of the photophysical properties of five bridged single-benzene-based fluorophores (SBBFs) investigated for their solution and solid-state emission (SSSE) properties. The compounds O<sub>4</sub>, N<sub>1</sub>O<sub>3</sub>, N<sub>2</sub>O<sub>2</sub>, N<sub>3</sub>O<sub>1</sub>, and N<sub>4</sub> are derived from a central terephthalonitrile core and vary in the amount of oxygen and nitrogen bridging atoms. These minimalized emitters show full-color tunable emission properties and exhibit moderate-to-high photoluminescence quantum yield values reaching up to 0.78 in dimethyl sulfoxide (DMSO). In addition to demonstrating excellent compatibility in poly(methyl methacrylate) (PMMA) films and additive manufacturing using stereolithography (SLA), white light emission was achieved in both solution and 3D-printed materials by controlling the mixing ratio of the compounds. Employing density-functional theory (DFT), well-correlating theoretical absorption and emission wavelengths were calculated as average values of the different possible conformers. Furthermore, cellular internalization of the substances was accomplished using Pluronic<sup>®</sup> F-127 nanoparticles. Overall, this study emphasizes the remarkable properties of single-benzene-based emitters, showcasing their accessibility and potential applications in biomedical fields and materials science. Photoluminescence ; Quantum yield ; Benzene ; Materials science ; Density functional theory ; Singlet oxygen ; Photochemistry ; Chemical engineering ; Chemistry ; Nanotechnology ; Fluorescence ; Optoelectronics ; Oxygen ; Organic chemistry ; Computational chemistry ; Optics Luminescence and Fluorescent Materials ; Fluorine in Organic Chemistry ; Organic Light-Emitting Diodes Research
Authors: Nicholas S. Manganaro | Scott D. Ambos | Matthew DeCapua | Scott D. Thiel | Wyatt E. Mitchell | Zhenxian Liu | Dongzhou Zhang | Phuong Q. H. Nguyen | Barbara Lavina | Esen Ercan | Jun Yan | James P. S. Walsh
Source: Inorganic Chemistry (article, 2024-05-13)
Field: Materials Science — Materials Chemistry

High-Pressure Polymorphism in Silver Ferrite Delafossite, AgFeO<sub>2</sub> The delafossites are a class of layered metal oxides that are notable for being able to exhibit optical transparency alongside an in-plane electrical conductivity, making them promising platforms for the development of transparent conductive oxides. Pressure-induced polymorphism offers a direct method for altering the electrical and optical properties in this class, and although the copper delafossites have been studied extensively under pressure, the silver delafossites remain only partially studied. We report two new high-pressure polymorphs of silver ferrite delafossite, AgFeO<sub>2</sub>, that are stabilized above ∼6 and ∼14 GPa. In situ X-ray diffraction and vibrational spectroscopy measurements are used to examine the structural changes across the two phase transitions. The high-pressure structure between 6 and 14 GPa is assigned as a monoclinic <i>C</i>2/<i>c</i> structure that is analogous to the high-pressure phase reported for AgGaO<sub>2</sub>. Nuclear resonant forward scattering reveals no change in the spin state or valence state at the Fe<sup>3+</sup> site up to 15.3(5) GPa. Delafossite ; Chemistry ; Valence (chemistry) ; Monoclinic crystal system ; Polymorphism (computer science) ; Electrical resistivity and conductivity ; Metal ; Crystallography ; Oxide ; Crystal structure Copper-based nanomaterials and applications ; Magnetic Properties and Synthesis of Ferrites ; Iron oxide chemistry and applications
Authors: Yang Min | Jian Wang | Xuan Xue | Hechun Jiang
Source: RSC Advances (article, 2024-01-01)
Field: Materials Science — Materials Chemistry

Colorimetric detection of Hg<sup>2+</sup> based on the enhanced oxidase-mimic activity of CuO/Au@Cu<sub>3</sub>(BTC)<sub>2</sub> triggered by Hg<sup>2+</sup> It is imperative to develop a rapid detection method for Hg<sup>2+</sup> due to its harm to human health and the ecological environment. In this research, CuO/Au@Cu<sub>3</sub>(BTC)<sub>2</sub> was synthesized through reducing HAuCl<sub>4</sub> by Cu<sub><i>x</i></sub>O@Cu<sub>3</sub>(BTC)<sub>2</sub>, which was obtained by reducing Cu<sub>3</sub>(BTC)<sub>2</sub> with hydrazine hydrate. The oxidase-mimic activity of CuO/Au@Cu<sub>3</sub>(BTC)<sub>2</sub> can be enhanced by Hg<sup>2+</sup> through forming a Au-Hg alloy. Therefore, a colorimetric method was designed for Hg<sup>2+</sup> detection with a linear relationship in the 0.05-25 μM range and a limit of detection of 9.7 nM. This strategy exhibited a strong selectivity to Hg<sup>2+</sup> and was applied in a real water sample with reliable recoveries. This work provides a possibility for the rapid detection of Hg<sup>2+</sup>. Chemistry ; Radiochemistry ; Nuclear chemistry ; Analytical Chemistry (journal) ; Chromatography Advanced Nanomaterials in Catalysis ; Advanced biosensing and bioanalysis techniques ; Electrochemical sensors and biosensors
Authors: Prosper Mapfumo | Jana I. Solomun | F Becker | Elisabeth Moek | Meike N. Leiske | K. Lenhard Rudolph | Johannes C. Brendel | Anja Traeger
Source: Macromolecular Bioscience (article, 2024-03-14)
Field: Materials Science — Biomaterials

Vitamin B3 Containing Polymers for Nanodelivery Polymeric nanoparticles (NPs) with an integrated dual delivery system enable the controlled release of bioactive molecules and drugs, providing therapeutic advantages. Key design targets include high biocompatibility, cellular uptake, and encapsulating efficiency. In this study, a polymer library derived from niacin, also known as vitamin B3 is synthesized. The library comprises poly(2-(acryloyloxy)ethyl nicotinate) (PAEN), poly(2-acrylamidoethyl nicotinate) (PAAEN), and poly(N-(2-acrylamidoethyl)nicotinamide) (PAAENA), with varying hydrophilicity in the backbone and pendant group linker. All polymers are formulated, and those with increased hydrophobicity yield NPs with homogeneous spherical distribution and diameters below 150 nm, as confirmed by scanning electron microscopy and dynamic light scattering. Encapsulation studies utilizing a model drug, neutral lipid orange (NLO), reveal the influence of polymer backbone on encapsulation efficiency. Specifically, efficiencies of 46% and 96% are observed with acrylate and acrylamide backbones, respectively. Biological investigations showed that P(AEN) and P(AAEN) NPs are non-toxic up to 300 µg mL<sup>-1</sup>, exhibit superior cellular uptake, and boost cell metabolic activity. The latter is attributed to the cellular release of niacin, a precursor to nicotinamide adenine dinucleotide (NAD), a central coenzyme in metabolism. The results underline the potential of nutrient-derived polymers as pro-nutrient and drug-delivery materials. Chemistry ; Polymer ; Polymer science ; Nanotechnology ; Organic chemistry ; Materials science Nanoparticle-Based Drug Delivery ; Graphene and Nanomaterials Applications ; RNA Interference and Gene Delivery
Authors: Esma Ugur | Gökçe Tidim | Dilara Gundogdu | Cemre Alemdar | Göksu Oral | Hepşen Hazal Hüsnügil | Sreeparna Banerjee | Irem Erel‐Göktepe
Source: ACS Omega (article, 2024-09-11)
Field: Materials Science — Biomaterials

Effect of Periodate-Induced Cross-linking on Dual Anticancer Drug Release from Poly(2-isopropyl-2-oxazoline)/Tannic Acid-Based Layer-by-Layer Microparticles This study reports, first, on the preparation and cross-linking of multilayers composed of poly(2-isopropyl-2-oxazoline-<i>co</i>-ethyleneimine) (PiPOX-PEI) and tannic acid (TA). PiPOX was synthesized by cationic ring-opening polymerization (CROP) and partially hydrolyzed, yielding a random copolymer PiPOX-PEI. It was then coassembled at the surface with TA using the layer-by-layer (LbL) technique. Multilayers were exposed to NaIO<sub>4</sub> solution to induce covalent bond formation between PEI units of PiPOX-PEI and TA. Cross-linking with NaIO<sub>4</sub> enhanced the stability of the multilayers, especially under basic conditions. Second, the potential of PiPOX-PEI and TA multilayers as a stimuli-responsive dual drug-releasing platform was examined using curcumin (CUR) and doxorubicin (DOX) as model drugs. These drugs were chosen as they can act in a combinatorial manner to increase cell death. The surface of CUR-containing CaCO<sub>3</sub> microparticles was modified with PiPOX-PEI and TA multilayers and postloaded with DOX. We found that LbL particles could release DOX in a pH-responsive manner, whereas temperature-induced release was observed only when the temperature was raised above 40 °C. The DOX and CUR released from the LbL particles could act synergistically on HCT-116 cells. Cross-linking increased the DOX release from LbL particles but decreased the CUR release from the core. Corroborating the release data, the synergy observed with the non-cross-linked particles was lost with the cross-linked particles, and the decrease in the viability of HCT-116 cells was attributed mainly to the release of DOX. Overall, we describe here NaIO<sub>4</sub>-induced cross-linking of PiPOX-PEI/TA LbL films, the effects of pH, temperature, and cross-linking on DOX and CUR release from multilayers, and comparison of the combinatorial effect of DOX and CUR for cross-linked and non-cross-linked LbL microparticles through cell viability assays. Tannic acid ; Oxazoline ; Dual layer ; Isopropyl ; Layer (electronics) ; Chemistry ; Periodate ; Organic chemistry Nanoparticle-Based Drug Delivery ; Advanced Drug Delivery Systems ; biodegradable polymer synthesis and properties
Authors: Sean Ray Kahnert | Jan C. Namyslo | Kari Rissanen | Martin Nieger | Andreas Schmidt
Source: European Journal of Organic Chemistry (article, 2024-05-13)
Field: Chemistry — Organic Chemistry

Imidazolium Dicyanomethylides as N‐Ylide Precursors of Anionic N‐Heterocyclic Carbenes Abstract In the past, the use of nitrogen ylides focused primarily on cycloadditions, where the 1,3‐dipole was used as a building block for the formation of heterocycles such as pyrroles or pyrrolinones. In this work, we present a new perspective on imidazolium dicyanomethylides with their synthesis and utilization as anionic N‐heterocyclic carbenes (NHCs). The values of relative carbene formation energies (CREF) for a wide range of substituted imidazolium ylides unknown in the literature showed promising properties. In situ trapping reactions of these anionic NHCs with selenium led to anionic, water‐soluble compounds that exhibited remarkable coordination behavior according to X‐ray structure analyses. In addition, the 77 Se shifts of the investigated compounds were measured to draw conclusions about their π‐acceptance. Chemistry ; Ylide ; Carbene ; Medicinal chemistry ; Organic chemistry ; Combinatorial chemistry ; Catalysis N-Heterocyclic Carbenes in Organic and Inorganic Chemistry ; Catalytic Cross-Coupling Reactions ; Catalytic C–H Functionalization Methods
Authors: Łukasz Pietrzak | Ernest Stano | Łukasz Szymański
Source: Electronics (article, 2024-06-02)
Field: Materials Science — Materials Chemistry

The Electromagnetic Shielding Properties of Biodegradable Carbon Nanotube–Polymer Composites In this article, the electromagnetic shielding properties of carbon nanotube–polymer nanocomposites are presented. The composite fabrication technique is spray-drying, the usage of which leads to a uniform dispersion of carbon nanotubes (CNTs) in a polymer matrix. Obtaining good filler dispersion is necessary to form a continuous, electrically conductive network of CNTs inside the polymer matrix. In the described nanocomposites, the network of conductive filler particles acts as an electromagnetic radiation barrier. For this reason, developing a highly effective fabrication method is very important. Also, the method should be simple enough to be easily adopted in an industrial environment. The authors shows in this text that both goals mentioned are achieved. The obtained nanocomposite material not only has electrostatic shielding capabilities but comprises electromagnetic shielding properties, which fulfills the main goal of the presented work. It is also worth mentioning that the developed manufacturing method allows for the usage of different fillers and polymers and thus the fabrication of materials capable of meeting a wide range of requirements. Carbon nanotube ; Materials science ; Fabrication ; Electromagnetic shielding ; Composite material ; Nanocomposite ; Polymer ; Composite number ; Dispersion (optics) ; Conductive polymer ; Polymer nanocomposite ; Filler (materials) ; Electrical conductor Carbon Nanotubes in Composites ; Nanotechnology research and applications ; Electromagnetic wave absorption materials
Authors: Vladimir Pavlenko | Alexander Y. Zakharov | Zhanibek Ayaganov | З. А. Мансуров
Source: Russian Chemical Reviews (article, 2024-09-01)
Field: Materials Science — Materials Chemistry

Nanoporous carbon materials: modern production methods and applications The review presents data on the nomenclature and production methods of the most intensively investigated classes of nanoporous carbon materials, which are increasingly used in science, medicine, and various fields of economy. The traditional activated carbons, which are produced by conventional biomass and fossil hydrocarbon processing methods, are compared with nanoporous carbon materials obtained using modern synthetic methods. Recommendations are given on the use of template synthesis to obtain carbon materials with a controlled nanoporosity. Self-template synthesis, in which environmentally benign and readily available organic salts can be used as precursors, is considered as a promising avenue of research. This approach markedly reduces the cost of template synthesis of nanoporous carbons and allows for the preparation of carbon materials with specific particle morphology from organometallic precursors. Methods for the preparation of functional materials with ordered architectures of micro- and mesopores are considered, including modern functionalization and doping approaches. A part of the review is devoted to advanced applications of nanoporous carbon materials such as water treatment, energy and hydrogen storage, separation of gas mixtures, development of catalysts and sensors, and solution of other significant problems. The conclusion summarizes the experience of application of various methods for the preparation of nanoporous carbon materials, identifies the most problematic issues of the development and practical use of these materials, and presents the authors' view on further development of this area of materials science.&lt;br&gt; The bliography includes 353 references. Nanoporous ; Carbon fibers ; Nanotechnology ; Mesoporous material ; Fossil fuel ; Chemistry ; Materials science ; Process engineering ; Catalysis ; Organic chemistry ; Engineering Mesoporous Materials and Catalysis ; Supercapacitor Materials and Fabrication ; Aerogels and thermal insulation
Authors: Rodrigo Plaza-Pedroche | M. Paz Fernández‐Liencres | Sonia B. Jiménez‐Pulido | Nuria A. Illán‐Cabeza | Sylvain Achelle | Amparo Navarro | Julián Rodríguez‐López
Source: ACS Applied Optical Materials (article, 2024-09-20)
Field: Materials Science — Materials Chemistry

Tunable Emission and Structural Insights of 6-Arylvinyl-2,4-bis(2′-hydroxyphenyl)pyrimidines and Their O<sup>∧</sup>N<sup>∧</sup>O-Chelated Boron Complexes In this study, we present the synthesis and photophysical characteristics of a novel series of 6-arylvinyl-2,4-bis(2'-hydroxyphenyl)pyrimidines. These compounds exhibit nonemissive properties attributed to the potential occurrence of a excited-state intramolecular proton transfer process from the OH groups to the nitrogen atoms of the pyrimidine ring. The introduction of an acid for protonation of the pyrimidine ring results in a significant enhancement of the fluorescence response, easily perceptible to the naked eye. Notably, these molecules serve as intriguing rigid O<sup>∧</sup>N<sup>∧</sup>O ligands for boron chelation. The incorporation of boron atoms promotes structural planarity, increases rigidity, and successfully restores fluorescence in both solution and the solid state. Moreover, the photoluminescence was found to be strongly influenced by the nature of the end groups on the arylvinylene fragment, allowing for the modulation of the emission color and covering the optical spectrum from blue to red. Strong emission solvatochromism was observed in various solvents, a finding that supports the formation of intramolecular charge-separated emitting states, particularly when terminal electron-donating groups are present in the structure. X-ray diffraction analysis enables the determination of inter- and intramolecular interactions, as well as molecular packing structures, aiding in the rationalization of distinct luminescent behaviors in the solid state. All experimental findings are elucidated through extensive density functional theory (DFT) and time-dependent DFT calculations. Chelation ; Boron ; Chemistry ; Medicinal chemistry ; Stereochemistry ; Inorganic chemistry ; Organic chemistry Luminescence and Fluorescent Materials ; Organic Light-Emitting Diodes Research ; Organoboron and organosilicon chemistry
Authors: Vitor H. N. Martins | Monize M. da Silva | Daniel A. Gonçalves | Volker Presser | Samantha Husmann | Victor H.R. Souza
Source: ACS Omega (article, 2024-07-10)
Field: Materials Science — Materials Chemistry

Freestanding Films of Reduced Graphene Oxide Fully Decorated with Prussian Blue Nanoparticles for Hydrogen Peroxide Sensing Developing thin, freestanding electrodes that work simultaneously as a current collector and electroactive material is pivotal to integrating portable and wearable chemical sensors. Herein, we have synthesized graphene/Prussian blue (PB) electrodes for hydrogen peroxide detection (H<sub>2</sub>O<sub>2</sub>) using a two-step method. First, an reduced graphene oxide/PAni/Fe<sub>2</sub>O<sub>3</sub> freestanding film is prepared using a doctor blade technique, followed by the electrochemical deposition of PB nanoparticles over the films. The iron oxide nanoparticles work as the iron source for the heterogeneous electrochemical deposition of the nanoparticles in a ferricyanide solution. The size of the PB cubes electrodeposited over the graphene-based electrodes was controlled by the number of voltammetric cycles. For H<sub>2</sub>O<sub>2</sub> sensing, the PB10 electrode achieved the lowest detection and quantification limits, 2.00 and 7.00 μM, respectively. The findings herein evidence the balance between the structure of the graphene/PB-based electrodes with the electrochemical performance for H<sub>2</sub>O<sub>2</sub> detection and pave the path for developing new freestanding electrodes for chemical sensors. Prussian blue ; Graphene ; Hydrogen peroxide ; Materials science ; Oxide ; Nanoparticle ; Nanotechnology ; Chemical engineering ; Chemistry ; Electrode ; Organic chemistry ; Electrochemistry ; Physical chemistry Graphene research and applications ; Advanced Sensor and Energy Harvesting Materials ; Gas Sensing Nanomaterials and Sensors
Authors: Mandeep K. Chahal
Source: Beilstein Journal of Organic Chemistry (review, 2024-11-27)
Field: Materials Science — Materials Chemistry

Advances in the use of metal-free tetrapyrrolic macrocycles as catalysts This review provides an overview of recent progress made in the field of catalysis using metal-free tetrapyrrolic macrocycles, focusing on calix[4]pyrroles, porphyrins and corroles, which are structurally related to porphyrins. Calix[4]pyrroles are versatile receptors in supramolecular chemistry while porphyrins are considered as 'pigment of life' due to their role in vital biological processes. Beyond their natural functions, synthetic porphyrins have been applied in various fields, including organometallic catalysis, dye-sensitized solar cells, sensing, artificial olfactory systems, photodynamic therapy (PDT), anticancer drugs, biochemical probes, and electrochemical devices. Relevant examples of these two pyrrolic macrocycles as metal-free organocatalysts, photocatalysts, and electrocatalysts are presented here. The effect of macrocyclic structural modifications such as their functionalization with different substituents, distortion from planarity, conformational flexibility and rigidity towards catalytic activity are presented, highlighting the potential of these two macrocycles as metal-free catalysts. Chemistry ; Supramolecular chemistry ; Combinatorial chemistry ; Catalysis ; Nanotechnology ; Organic chemistry ; Molecule ; Materials science Porphyrin and Phthalocyanine Chemistry ; CO2 Reduction Techniques and Catalysts ; Synthesis and Characterization of Pyrroles