jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Zhenxiang Zhao | Jun Yang | Chun‐Lin Wang | Yantao Xue | Hao Wu | Weilong Xie | Pingping Wu | Chunzheng Wang | Wei Xing | Yi Wang | Chunxia Pang | Quande Pang | Xiaohua Wang | Jun Nan | Peng Bai | Zifeng Yan
Source: Science China Materials (article, 2023-12-20)
Field: Materials Science — Materials Chemistry

Template-free synthesis of highly porous silica-doped alumina with exceptional stability via intercalation–exfoliation of boehmite into two-dimensional nanosheets Boehmite ; Materials science ; Porosity ; Exfoliation joint ; Chemical engineering ; Adsorption ; Intercalation (chemistry) ; Hydrothermal circulation ; Template ; Specific surface area ; Nanotechnology ; Catalysis ; Composite material ; Inorganic chemistry ; Organic chemistry ; Graphene ; Aluminium Layered Double Hydroxides Synthesis and Applications ; Mesoporous Materials and Catalysis ; Covalent Organic Framework Applications
Authors: Robert T. Kumah | Francis K. Migwi | Markus Schmitz | Werner R. Thiel | Stephen O. Ojwach
Source: ChemCatChem (article, 2023-10-31)
Field: Chemistry — Inorganic Chemistry

Novel Metallomacrocyclic Carboxamide Mn(II) Complexes as Efficient Catalysts for the Transfer Hydrogenation of Ketones Abstract Herein, we present the first metallomacrocyclic Mn(II) complexes as efficient catalysts for the transfer hydrogenation of ketones. The dinuclear Mn(II) complexes [Mn 2 ( L1 – L4 ) 2 Cl 2 ] ( Mn1 – Mn4 ), were synthesised in good yields by reacting MnCl 2 ⋅ 4H 2 O with the ligands N ,N′ ‐(1,4‐phenylene)dipicolinamide ( L1) , N,N′ ‐(1,2‐phenylene)dipicolinamide ( L2 ), N,N′ ‐(4‐methoxy‐1,2‐phenylene)dipicolinamide (L3) and N,N′ ‐(4,5‐dimethyl‐1,2‐phenylene)dipicolinamide ( L4 ). Structural characterization of the resulting Mn(II) complexes was achieved using FT‐IR spectroscopy, mass spectrometry, magnetic moment measurements, elemental analysis, and single‐crystal X‐ray diffraction for Mn2 . The solid‐state structure of complex Mn2 reveals a dinuclear Mn(II) core, in which the metal coordination sphere consists of two bidentate, K 2 (N−O) bridging L2 units and two chlorido ligands to give a distorted octahedral geometry. The Mn(II) complexes ( Mn1 – Mn4 ) were quite active catalysts for the transfer hydrogenation of ketones displaying turnover numbers (TON) of up to 2633, which is comparable to those of well‐established Mn(I) catalysts. The new Mn(II) complexes also efficiently hydrogenated a number of aromatic, heterocyclic, functionalized and aliphatic ketones. More significantly, cheaper, and readily available hydrogen sources like ethanol also gave decent catalytic activities in the transfer hydrogenation reactions. Transfer hydrogenation ; Chemistry ; Catalysis ; Denticity ; Phenylene ; Octahedron ; Crystal structure ; Crystallography ; Medicinal chemistry ; Organic chemistry ; Ruthenium Asymmetric Hydrogenation and Catalysis ; Nanomaterials for catalytic reactions ; Metal-Organic Frameworks: Synthesis and Applications
Authors: Kristina Smirnova | Yulia O. Edilova | Mikhail A. Kiskin | A.S. Bogomyakov | Yulia S. Kudyakova | М. С. Валова | Г.В. Романенко | Павел А. Слепухин | В. И. Салоутин | Денис Н. Бажин
Source: International Journal of Molecular Sciences (article, 2023-06-05)
Field: Materials Science — Materials Chemistry

Perfluoroalkyl Chain Length Effect on Crystal Packing and [LnO8] Coordination Geometry in Lanthanide-Lithium β-Diketonates: Luminescence and Single-Ion Magnet Behavior Functionalized perfluoroalkyl lithium β-diketonates (LiL) react with lanthanide(III) salts (Ln = Eu, Gd, Tb, Dy) in methanol to give heterobimetallic Ln-Li complexes of general formula [(LnL<sub>3</sub>)(LiL)(MeOH)]. The length of fluoroalkyl substituent in ligand was found to affect the crystal packing of complexes. Photoluminescent and magnetic properties of heterobimetallic β-diketonates in the solid state are reported. The effect of the geometry of the [LnO<sub>8</sub>] coordination environment of heterometallic β-diketonates on the luminescent properties (quantum yields, phosphorescence lifetimes for Eu, Tb, Dy complexes) and single-ion magnet behavior (<i>U</i><sub>eff</sub> for Dy complexes) is revealed. Lanthanide ; Coordination geometry ; Lithium (medication) ; Luminescence ; Single crystal ; Crystallography ; Ligand (biochemistry) ; Ion ; Substituent ; Phosphorescence ; Photoluminescence ; Crystal structure ; Materials science ; Chemistry ; Geometry ; Fluorescence ; Stereochemistry ; Organic chemistry ; Molecule Lanthanide and Transition Metal Complexes ; Magnetism in coordination complexes ; Organometallic Complex Synthesis and Catalysis
Authors: Douglas Turnbull | Marc‐André Légaré
Source: Chemical Science (article, 2023-01-01)
Field: Chemistry — Organic Chemistry

Rapid, iterative syntheses of unsymmetrical di- and triarylboranes from crystalline aryldifluoroboranes A one-pot procedure to synthesise aryldifluoroboranes, ArBF<sub>2</sub>, from bench-stable arylsilanes is presented. These ArBF<sub>2</sub> react conveniently with aryllithium reagents to form unsymmetrical ArAr'BF and BArAr'Ar'' in high yield. Examples of all three classes of borane have been characterised crystallographically, allowing for elucidation of geometric and crystal packing trends in crystalline ArBF<sub>2</sub>. Combinatorial chemistry ; Chemistry ; Stereochemistry ; Materials science Organoboron and organosilicon chemistry ; Catalytic Cross-Coupling Reactions ; Chemical Synthesis and Analysis
Authors: Д. В. Кочелаков | E. S. Vikulova | Natalia V. Kuratieva | Ilya V. Korolkov
Source: Molecules (article, 2023-08-04)
Field: Materials Science — Materials Chemistry

Potassium and Cesium Fluorinated β-Diketonates: Effect of a Cation and Terminal Substituent on Structural and Thermal Properties As potential precursors for the synthesis of fluoroperovskites, a family of heavy alkali metal (M<sup>I</sup> = K, Cs) fluorinated β-diketonates were prepared and characterized by elemental analysis, IR, and powder-XRD. The crystal structures of the new six complexes, M<sup>I</sup>(β-dik<sup>F</sup>)(H<sub>2</sub>O)<sub>X</sub>, X = 0 or 1, were also determined. The structural diversity of this poorly explored class of complexes was discussed, including the preferred types of cation polyhedra and the ligand coordination modes, and the thermal properties of the metal β-diketonates were studied by TG-DTA in an inert (He) atmosphere. The data obtained allowed us to reveal the effect of the metal cation and the terminal substituent on the structural and thermal features of this family of complexes. Substituent ; Chemistry ; Alkali metal ; Metal ; Caesium ; Ligand (biochemistry) ; Inorganic chemistry ; Crystal structure ; Thermal analysis ; Inert gas ; Elemental analysis ; Crystallography ; Thermal ; Medicinal chemistry ; Organic chemistry Lanthanide and Transition Metal Complexes ; Magnetism in coordination complexes ; Inorganic Fluorides and Related Compounds
Authors: Matías E. Regueiro Pschepiurca | Nahir Vadra | S. Suárez
Source: European Journal of Inorganic Chemistry (article, 2023-03-02)
Field: Materials Science — Materials Chemistry

Versatile Metalloporphyrin‐Based Electrochemical Sensing Applications: From Small Gasotransmitters to Macromolecules Abstract At the beginning of his youthful sixth decade, this work is dedicated to Prof. Dr. Fabio Doctorovich. He is distinctive in organometallic chemistry. During his successful career, he has been studying the reactivity and application of metalloporphyrins. Metalloporphyrins are organometallic complexes that exhibit, through synthetic modifications, the ability to tune their optical and electrochemical properties and their selectivity towards a particular molecule or ion. For this reason, they are systems extremely useful as electrochemical sensors to detect and quantify a wide variety of analytes with high selectivity, even in real samples such as food, water, biological fluids, or pharmaceutical compounds. This review presents an up‐to‐date list of reports in which metalloporphyrins are used as electrochemical sensors. In addition to compiling a comprehensive and up‐to‐date list of reported sensors that utilize metalloporphyrins, this work aims to provide an overview of currently available tools and techniques for the detection of various chemical species through similar approaches, which are constantly being developed. Chemistry ; Nanotechnology ; Electrochemistry ; Selectivity ; Combinatorial chemistry ; Chemical sensor ; Analyte ; Macromolecule ; Biochemical engineering ; Organic chemistry ; Electrode ; Catalysis ; Physical chemistry ; Materials science Porphyrin and Phthalocyanine Chemistry ; Electrochemical sensors and biosensors ; Molecular Sensors and Ion Detection
Authors: Samuel da Silva Eduardo | Jhonatam Pinheiro Mendonça | Pedro Nothaft Romano | João Monnerat Araújo Ribeiro de Almeida | Giovanna Machado | Marco Aurélio Suller Garcia
Source: Hydrogen (article, 2023-07-31)
Field: Materials Science — Materials Chemistry

Tailoring Ceria-Based Nanocatalysts for Enhanced Performance in Steam Reforming Processes: Exploring Fundamentals and Morphological Modulations Ceria-based nanostructures, employed as catalytic supports for noble and non-noble metals, are well-known for their remarkable activity in steam-reforming reactions, exceptional resistance to degradation, and thermal stability. However, the catalytic activity and selectivity of such systems are strongly dependent on the size and shape of ceria, making it possible to tune the oxide properties, affecting catalyst design and performance. The rational manipulation of ceria nanostructures offers various features that directly impact steam-reforming transformations, including the possibility of tuning oxygen vacancies, redox properties, and oxygen storage capacity. Thus, the importance of shape control in ceria nanomaterials is highlighted herein, emphasizing how the surface atomic configurations (exposure of different facets) significantly impact their efficiency. Although the main focus of this review is to discuss how the catalyst design may affect the performance of hydrogen production, some other elemental studies are shown, when necessary, to exemplify the level of deepness (or not) that literature has reached. Thus, an overview of ceria properties and how the physicochemical control of nanostructures contributes to their tuning will be presented, as well as a discussion regarding elemental materials design and the most prominent synthetic procedures; then, we select some metals (Ni, Co, and Pt) to discuss the understanding of such aspects for the field. Finally, challenges and perspectives for nanoengineering catalysts based on shape-controlled ceria nanostructures will be described to possibly improve the performance of designed catalysts for steam-reforming reactions. Although there are other literature reviews on ceria-based catalysts for these reactions, they do not specifically focus on the influence of the size and shape of the oxide. Nanomaterial-based catalyst ; Catalysis ; Steam reforming ; Nanoengineering ; Nanotechnology ; Materials science ; Nanomaterials ; Hydrogen production ; Rational design ; Nanostructure ; Redox ; Oxide ; Chemistry ; Nanoparticle ; Metallurgy Catalytic Processes in Materials Science ; Electrocatalysts for Energy Conversion ; Catalysis and Hydrodesulfurization Studies
Authors: Phat Trong Huynh | Khanh Thi Le Tran | Tham Thi Hong Nguyen | Quang Vinh Lam | Ngan Thi Kim Phan | Thanh Vo Ke Ngo
Source: Journal of Genetic Engineering and Biotechnology (article, 2023-11-15)
Field: Materials Science — Materials Chemistry

Preparation and characterization of spiked gold nanobipyramids and its antibacterial effect on methicillin-resistant Staphylococcus aureus and methicillin-sensitive Staphylococcus aureus This report suggests that these SNBPs are potential antibacterial agents that can be applied as antibacterial materials to inhibit the growth of human bacterial pathogen infections related to antibiotic-resistant bacteria. Staphylococcus aureus ; Minimum inhibitory concentration ; Minimum bactericidal concentration ; Scanning electron microscope ; Chemistry ; Antibacterial activity ; Methicillin-resistant Staphylococcus aureus ; Microbiology ; Nuclear chemistry ; Bacteria ; Chromatography ; Biology ; Antimicrobial ; Materials science Nanoparticles: synthesis and applications ; Antibiotic Use and Resistance ; Essential Oils and Antimicrobial Activity
Authors: Anna Lucia Pellegrino | Francesca Lo Presti | Graziella Malandrino
Source: Molecules (article, 2023-04-07)
Field: Materials Science — Materials Chemistry

Metalorganic Chemical Vapor Deposition Approach to the Synthesis of Perovskite BaCeO3 and BaCe0.8Y0.2O3 Thin Films In the present energetic scenario, the development of materials with high potentiality in the technological fields of energy conversion processes, production and storage of hydrogen, are of great interest in the scientific community. In particular, we report for the first time the fabrication of crystalline and homogeneous barium-cerate-based materials in the form of thin films on various substrates. Starting from the β-diketonate precursor sources Ce(hfa)3diglyme, Ba(hfa)2tetraglyme and Y(hfa)3diglyme (Hhfa = 1,1,1,5,5,5-hexafluoroacetylacetone; diglyme = bis(2-methoxyethyl)ether; tetraglyme = 2,5,8,11,14-pentaoxapentadecane), a metalorganic chemical vapor deposition (MOCVD) approach has been successfully applied to the fabrication of BaCeO3 and doped BaCe0.8Y0.2O3 systems in the form of thin films. Structural, morphological and compositional analyses allowed for an accurate determination of the properties of deposited layers. The present approach represents a simple, easily scalable, and industrially appealing process for the production of compact and homogeneous barium cerate thin films. Chemical vapor deposition ; Thin film ; Fabrication ; Materials science ; Metalorganic vapour phase epitaxy ; Combustion chemical vapor deposition ; Barium ; Perovskite (structure) ; Chemical engineering ; Nanotechnology ; Inorganic chemistry ; Chemistry ; Epitaxy ; Organic chemistry ; Carbon film ; Layer (electronics) Catalytic Processes in Materials Science ; Electronic and Structural Properties of Oxides ; Magnetic and transport properties of perovskites and related materials
Authors: Zhongxin Ping | Fang Xie | Xiaobo Gong | Liwu Liu | Jinsong Leng | Yanju Liu
Source: Polymers (article, 2023-04-14)
Field: Materials Science — Polymers and Plastics

Effects of Accelerated Aging on Thermal, Mechanical and Shape Memory Properties of Cyanate-Based Shape Memory Polymer: III Vacuum Thermal Cycling Shape memory polymers (SMPs) with intelligent deformability have shown great potential in the field of aerospace, and the research on their adaptability to space environments has far-reaching significance. Chemically cross-linked cyanate-based SMPs (SMCR) with excellent resistance to vacuum thermal cycling were obtained by adding polyethylene glycol (PEG) with linear polymer chains to the cyanate cross-linked network. The low reactivity of PEG overcame the shortcomings of high brittleness and poor deformability while endowing cyanate resin with excellent shape memory properties. The SMCR with a glass transition temperature of 205.8 °C exhibited good stability after vacuum thermal cycling. The SMCR maintained a stable morphology and chemical composition after repeated high-low temperature cycle treatments. The SMCR matrix was purified by vacuum thermal cycling, which resulted in an increase in its initial thermal decomposition temperature by 10-17 °C. The continuous vacuum high and low temperature relaxation of the vacuum thermal cycling increased the cross-linking degree of the SMCR, which improved the mechanical properties and thermodynamic properties of SMCR: the tensile strength of SMCR was increased by about 14.5%, the average elastic modulus was greater than 1.83 GPa, and the glass transition temperature increased by 5-10 °C. Furthermore, the shape memory properties of SMCR after vacuum thermal cycling treatment were well maintained due to the stable triazine ring formed by the cross-linking of cyanate resin. This revealed that our developed SMCR had good resistance to vacuum thermal cycling and thus may be a good candidate for aerospace engineering. Cyanate ester ; Temperature cycling ; Materials science ; Cyanate ; Thermal stability ; Glass transition ; Polymer ; Composite material ; Shape-memory polymer ; Polyethylene glycol ; PEG ratio ; Thermal ; Polymer chemistry ; Chemistry ; Thermodynamics ; Organic chemistry Polymer composites and self-healing ; Silicone and Siloxane Chemistry ; Photochromic and Fluorescence Chemistry
Authors: Huifang Xu | Xin Liang | Song Lu | Meihua Gao | Sijia Wang | Yuanyuan Li
Source: Molecules (article, 2023-11-07)
Field: Chemistry — Organic Chemistry

Self-Assembly of Palmitic Acid in the Presence of Choline Hydroxide To disperse fatty acids in aqueous solution, choline, a quaternary ammonium ion, has been used recently. So far, only the self-assembly of myristic acid (MA) in the presence of choline hydroxide as a function of the molar ratio has been investigated, and, thus, the current understanding of these fatty acid systems is still limited. We investigated the self-assembly of palmitic acid (PA) in the presence of choline hydroxide (ChOH) as a function of the molar ratio (<i>R</i>) between ChOH and PA. The self-assemblies were characterized by phase contrast microscopy, cryo-TEM, small-angle X-ray scattering, and <sup>2</sup>H NMR. The ionization state of PA was determined by pH, conductivity, and FT-IR measurements. With increase in <i>R</i>, various self-assembled structures, including vesicles, lamellar phase, rigid membranes (large sheets, tubules, cones, and polyhedrals), and micelles, form in the PA/ChOH system, different from those of the MA/ChOH system. The change in <i>R</i> induces pH variation and, consequently, a change in the PA ionization state, which, in turn, regulates the molecular interactions, including hydrogen bonding and electrostatic interaction, leading to various self-assemblies. Temperature is an important factor used to tune the self-assembly transitions. The fatty acid choline systems studied here potentially may be applicable in medicine, chemical engineering, and biotechnology. Myristic acid ; Chemistry ; Ammonium hydroxide ; Membrane ; Hydrogen bond ; Aqueous solution ; Micelle ; Lamellar structure ; Chemical engineering ; Palmitic acid ; Fatty acid ; Crystallography ; Organic chemistry ; Molecule ; Biochemistry Surfactants and Colloidal Systems ; Lipid Membrane Structure and Behavior ; Analytical Chemistry and Chromatography
Authors: Chaiyon Chaiwai | Wipaporn Kitisriworaphan | Sujinda Petdee | Thanyarat Chawanpunyawat | Pongsakorn Chasing | Phattananawee Nalaoh | Thanaporn Manyum | Taweesak Sudyodsuk | Vinich Promarak
Source: ChemPhotoChem (article, 2023-04-25)
Field: Materials Science — Materials Chemistry

Red‐Emitting Fluorophores Featuring Combined Hybridized Local and Charge‐Transfer Excited State and Aggregation‐Induced Emission as Efficient Emitters for Electroluminescent Devices Abstract Herein, donor (D)‐acceptor (A) type fluorophores ( TTBz and TTNz ) were designed and synthesized with different acceptor units. The two acceptor units benzo[c][1,2,5]thiadiazole (Bz) and naphtho[2,3‐c][1,2,5]thiadiazole (Nz) are asymmetrically functionalized with triphenylamine (TPA) as a strong donor and tetraphenylethylene (TPE) as an aggregation‐induced emission (AIE)‐luminogen to realize combined AIE and hybridized local and charge transfer (HCLT) excited state features as well as long‐wavelength emission. Their HCLT and AIE properties are verified by theoretical calculations, solvatochromic effects, and transient photoluminescence decay experiments. They exhibit strong orange‐red and deep‐red fluorescence emission with good thermal stability and hole mobility, leading to effective utilization as emitters in organic light‐emitting diodes (OLEDs). The resulting devices show decent electroluminescent (EL) performance (current efficiency of 12.04–12.58 cd A −1 , maximum brightness of 11206–20160 cd m −2 , and external quantum efficiency of 5.11–5.47 %). Particularly, the TTNz ‐based OLED demonstrates steady deep‐red emission with a peak at 661 nm and CIE coordinates of (0.67, 0.33). Electroluminescence ; Triphenylamine ; OLED ; Photochemistry ; Tetraphenylethylene ; Excited state ; Materials science ; Acceptor ; Fluorescence ; Photoluminescence ; Optoelectronics ; Quantum efficiency ; Chemistry ; Aggregation-induced emission ; Atomic physics ; Optics ; Nanotechnology Luminescence and Fluorescent Materials ; Organic Light-Emitting Diodes Research ; Organic Electronics and Photovoltaics
Authors: Fabian Roesler | Máté Kovács | Clemens Bruhn | Zsolt Kelemen | Rudolf Pietschnig
Source: Organometallics (article, 2023-04-18)
Field: Chemistry — Inorganic Chemistry

Moving on from Silicon to the Heavier Tetrels: Germyl- and Stannyl-Substituted Phosphole Derivatives Germyl- and stannyl-substituted phospholes have been prepared and isolated. The increased reactivity of the tetrel carbon bond requires increased effort in purification by initial transformation to the chalcogen derivatives and subsequent reduction to the phosphole after subsequent to chromatographic purification for the germanium derivative. The photophysical properties of the germyl phosphole are comparable to that of its silyl analogue, whereas the stannyl phospholes turned out to be nonluminescent. All isolated compounds have been characterized by NMR spectroscopy, mass spectrometry, and elemental analysis. Furthermore, single-crystal X-ray diffraction and density functional theory (DFT) calculations have been performed on selected compounds. Phosphole ; Chemistry ; Silylation ; Reactivity (psychology) ; Germanium ; Derivative (finance) ; Silicon ; Chalcogen ; Single crystal ; Carbon fibers ; Crystallography ; Density functional theory ; Computational chemistry ; Medicinal chemistry ; Stereochemistry ; Organic chemistry ; Catalysis Synthesis and characterization of novel inorganic/organometallic compounds ; Organoboron and organosilicon chemistry ; Organometallic Complex Synthesis and Catalysis