jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Benalia M’hamdi | Youcef Benmahamed | M. Teguar | Ibrahim B. M. Taha | Sherif S. M. Ghoneim
Source: IEEE Access (article, 2022-01-01)
Field: Materials Science — Materials Chemistry

Multi-Objective Optimization of 400 kV Composite Insulator Corona Ring Design The electric field distribution is one of the main factors governing the long-term reliability of high voltage composite insulators. However, under severe pollution conditions, electric field stresses, when exceeding thresholds and applying for long periods, could lead to degradation and deterioration of the housing materials and, therefore, to failures of the composite insulators. This paper is intended to improve the distributions of the electric field and potential by minimizing the corona ring on a 400 kV AC transmission line composite insulator. The performances of three powerful multi-objective meta-heuristic algorithms, namely Ant Lion Optimizer (MOALO), Particle Swarm Optimizer (MOPSO), and non-dominated sorting genetic algorithm (NSGA-II) are established to achieve this goal. First, variations of electrical fields on the critical parts of the string are obtained using three-dimensional finite element method (FEM) software. Then, three objective functions are developed to establish the relationships between the electric field and the guard ring parameters. Finally, the optimization parameters consist of diameter, tube diameter, and installation height of the corona ring. The obtained results confirm the effectiveness of the three algorithms; the MOLAO is the better in terms of computing time and solution quality. Insulator (electricity) ; Particle swarm optimization ; Electric field ; Finite element method ; Voltage ; Computer science ; Transmission line ; Corona (planetary geology) ; Sizing ; Materials science ; Electronic engineering ; Engineering ; Electrical engineering ; Algorithm ; Structural engineering ; Physics High voltage insulation and dielectric phenomena ; Thermal Analysis in Power Transmission ; Power Transformer Diagnostics and Insulation
Authors: Bhart Kumar | Abhik Paul | Dibya Jyoti Mondal | Piyush Paliwal | Sanjit Konar
Source: The Chemical Record (review, 2022-07-11)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Spin‐State Modulation in Fe<sup>II</sup>‐Based Hofmann‐Type Coordination Polymers: From Molecules to Materials Spin crossover complexes that reversibly interconvert between two stable states imitate a binary state of 0 and 1, delivering a promising possibility to address the data processing concept in smart materials. Thus, a comprehensive understanding of the modulation of magnetic transition between high spin and low spin and the factors responsible for stabilizing the spin states is an essential theme in modern materials design. In this context, the present review attempts to provide a concise outline of the design strategy employed at the molecular level for fine-tuning the spin-state switching in Fe<sup>II</sup> -based Hofmann-type coordination polymers and their effects on the optical and magnetic response. In addition, development towards the nanoscale architectures of HCPs, i. e., in terms of nanoparticles and thin films, are emphasized to bridge the gap between the laboratory and reality. Spin crossover ; Context (archaeology) ; Spin states ; Spin (aerodynamics) ; Nanotechnology ; Polymer ; Materials science ; State (computer science) ; Molecule ; Modulation (music) ; Nanoparticle ; Theme (computing) ; Chemistry ; Condensed matter physics ; Crystallography ; Physics ; Computer science ; Organic chemistry Magnetism in coordination complexes ; Lanthanide and Transition Metal Complexes ; Metal-Organic Frameworks: Synthesis and Applications
Authors: Marco Agnes | Elisabetta Pancani | Milo Malanga | Éva Fenyvesi | Ilse Manet
Source: Macromolecular Bioscience (review, 2022-04-22)
Field: Materials Science — Biomaterials

Implementation of Water‐Soluble Cyclodextrin‐Based Polymers in Biomedical Applications: How Far Are We? Cyclodextrin-based polymers can be prepared starting from the naturally occurring monomers following green and low-cost procedures. They can be selectively derivatized pre- or post-polymerization allowing to fine-tune functionalities of ad hoc customized polymers. Preparation nowadays has reached the 100 g scale thanks also to the interest of industries in these extremely versatile compounds. During the last 15 years, these macromolecules have been the object of intense investigations in view of possible biomedical applications as the ultimate goal and large amounts of scientific data are now available. Compared to their monomeric models, already used in the formulation of various therapeutic agents, they display superior behavior in terms of their solubility in water and solubilizing power toward drugs incompatible with biological fluids. Moreover, they allow the combination of more than one type of therapeutic agent in the polymeric system. In this review, a complete state of the art on the knowledge and potentialities of water-soluble cyclodextrin-based polymers as therapeutic agents as well as carrier systems for different types of therapeutics to implement combination therapy is provided. Finally, a perspective on their assets for innovation in disease treatment as well as their limits that still need to be addressed is given. Cyclodextrin ; Polymer ; Monomer ; Combinatorial chemistry ; Biochemical engineering ; Nanotechnology ; Computer science ; Chemistry ; Materials science ; Organic chemistry ; Engineering Nanoparticle-Based Drug Delivery ; Innovative Microfluidic and Catalytic Techniques Innovation ; Electrohydrodynamics and Fluid Dynamics
Authors: Praveen N. Gunawardene | Julia Martín | Jonathan M. Wong | Zhifeng Ding | John F. Corrigan | Mark S. Workentin
Source: Angewandte Chemie International Edition (article, 2022-05-17)
Field: Materials Science — Materials Chemistry

Controlling the Structure, Properties and Surface Reactivity of Clickable Azide‐Functionalized Au<sub>25</sub>(SR)<sub>18</sub> Nanocluster Platforms Through Regioisomeric Ligand Modifications To fine-tune structure-property correlations of thiolate-protected gold nanoclusters through post-assembly surface modifications, we report the synthesis of the o, m, and p regioisomeric forms of the anionic azide-functionalized [Au<sub>25</sub> (SCH<sub>2</sub> CH<sub>2</sub> -C<sub>6</sub> H<sub>4</sub> -N<sub>3</sub> )<sub>18</sub> ]<sup>1-</sup> platform. They can undergo cluster-surface strain-promoted alkyne-azide cycloaddition (CS-SPAAC) chemistry with complementary strained-alkynes. Although their optical properties are similar, the electrochemical properties appear to correlate with the position of the azido group. The ability to conduct CS-SPAAC chemistry without altering the parent nanocluster structure is different as the isomeric form of the surface ligand is changed, with the [Au<sub>25</sub> (SCH<sub>2</sub> CH<sub>2</sub> -p-C<sub>6</sub> H<sub>4</sub> -N<sub>3</sub> )<sub>18</sub> ]<sup>1-</sup> isomer having the highest reaction rates, while the [Au<sub>25</sub> (SCH<sub>2</sub> CH<sub>2</sub> -o-C<sub>6</sub> H<sub>4</sub> -N<sub>3</sub> )<sub>18</sub> ]<sup>1-</sup> isomer is not stable following CS-SPAAC. Single-crystal X-ray diffraction provide the molecular structure of the neutral forms of the three regioisomeric clusters, [Au<sub>25</sub> (SCH<sub>2</sub> CH<sub>2</sub> -o/m/p-C<sub>6</sub> H<sub>4</sub> -N<sub>3</sub> ]<sup>0</sup> , which illustrates correlated structural features of the central core as the position of the azido moiety is changed. Nanoclusters ; Cycloaddition ; Chemistry ; Moiety ; Ligand (biochemistry) ; Azide ; Crystallography ; Stereochemistry ; Alkyne ; Reactivity (psychology) ; Catalysis ; Organic chemistry Nanocluster Synthesis and Applications ; Advanced Nanomaterials in Catalysis ; Gold and Silver Nanoparticles Synthesis and Applications
Authors: Zailun Liu | Like Sun | Qitao Zhang | Zhenyuan Teng | Hongli Sun | Chenliang Su
Source: Chemical Research in Chinese Universities (article, 2022-09-22)
Field: Materials Science — Materials Chemistry

TiO2-supported Single-atom Catalysts: Synthesis, Structure, and Application Catalysis ; Nanotechnology ; Photocatalysis ; Electrocatalyst ; Thermal stability ; Materials science ; Metal ; Atom (system on chip) ; Characterization (materials science) ; Combinatorial chemistry ; Chemistry ; Biochemical engineering ; Computer science ; Physical chemistry ; Engineering ; Organic chemistry Catalytic Processes in Materials Science ; Advanced Photocatalysis Techniques ; Nanomaterials for catalytic reactions
Authors: Peter Kirenga | Stelyus L. Mkoma | Sixberth Mlowe | Yohana Msambwa | Lucy W. Kiruri | Fortunatus Jacob | James E. Mgaya | Grace Kinunda | Geradius Deogratias
Source: Computational and Theoretical Chemistry (article, 2022-02-22)
Field: Materials Science — Polymers and Plastics

Influence of heteroatoms on the optoelectronic properties of triphenylamine-based dyes for DSSCs application: A computational approach Heteroatom ; Chemistry ; Triphenylamine ; Chalcogen ; Density functional theory ; Acceptor ; Photochemistry ; Hydantoin ; Absorption (acoustics) ; Dye-sensitized solar cell ; Computational chemistry ; Crystallography ; Physical chemistry ; Organic chemistry Conducting polymers and applications ; Advanced Photocatalysis Techniques ; TiO2 Photocatalysis and Solar Cells
Authors: Kedafi Belkhir | Guillaume Riquet | Fréderic Becquart
Source: Advances in Polymer Technology (article, 2022-05-06)
Field: Chemistry — Organic Chemistry

Polymer Processing under Microwaves Over the last decades, microwave heating has experienced a great development and reached various domains of application, especially in material processing. In the field of polymers, this unusual source of energy showed important advantages arising from the direct microwave/matter interaction. Indeed, microwave heating allows regio-, chemio-, and stereo-selectivity, faster chemical reactions, and higher yields even in solvent-free processes. Thus, this heating mode provides a good alternative to the conventional heating by reducing time and energy consumption, hence reducing the costs and ecological impact of polymer chemistry and processing. This review states some achievements in the use of microwaves as energy source during the synthesis and transformation of polymers. Both in-solution and free-solvent processes are described at different scales, with comparison between microwave and conventional heating. Microwave ; Polymer ; Materials science ; Microwave heating ; Process engineering ; Solvent ; Energy consumption ; Nanotechnology ; Composite material ; Organic chemistry ; Computer science ; Telecommunications ; Chemistry ; Electrical engineering Microwave-Assisted Synthesis and Applications ; Multicomponent Synthesis of Heterocycles ; Synthesis and properties of polymers
Authors: Jacob I. Deneff | Lauren E. S. Rohwer | Kimberly S. Butler | Nichole Valdez | Mark A. Rodriguez | Ting S. Luk | Dorina F. Sava Gallis
Source: ACS Applied Materials & Interfaces (article, 2022-01-07)
Field: Chemistry — Inorganic Chemistry

Covert MOF-Based Photoluminescent Tags via Tunable Linker Energetics Optical anticounterfeiting tags utilize the photoluminescent properties of materials to encode unique patterns, enabling identification and validation of important items and assets. These tags must combine optical complexity with ease of production and authentication to both prevent counterfeiting and to remain practical for widespread use. Metal-organic frameworks (MOFs) based on polynuclear, rare earth clusters are ideal materials platforms for this purpose, combining fine control over structure and composition, with tunable, complex energy transfer mechanisms via both linker and metal components. Here we report the design and synthesis of a set of heterometallic MOFs based on combinations of Eu, Nd, and Yb with the tetratopic linker 1,3,6,8-tetrakis(4-carboxyphenyl)pyrene. The energetics of this linker facilitate the intentional concealment of the visible emissions from Eu while retaining the infrared emissions of Nd and Yb, creating an optical tag with multiple covert elements. Unique to the materials system reported herein, we document the occurrence of a previously not observed 11-metal cluster correlated with the presence of Yb in the MOFs, coexisting with a commonly encountered 9-metal cluster. We demonstrate the utility of these materials as intricate optical tags with both rapid and in-depth screening techniques, utilizing orthogonal identifiers across composition, emission spectra, and emission decay dynamics. This work highlights the important effect of linker selection in controlling the resulting photoluminescent properties in MOFs and opens an avenue for the targeted design of highly complex, multifunctional optical tags. Linker ; Photoluminescence ; Materials science ; Metal-organic framework ; Bimetallic strip ; Nanotechnology ; Cluster (spacecraft) ; Computer science ; Metal ; Optoelectronics ; Chemistry Metal-Organic Frameworks: Synthesis and Applications ; Nanocluster Synthesis and Applications ; Lanthanide and Transition Metal Complexes
Authors: Fernando Carrillo‐Hermosilla | Rafael Fernández‐Galán | Alberto Ramos | David Elorriaga
Source: Molecules (review, 2022-09-13)
Field: Chemistry — Organic Chemistry

Guanidinates as Alternative Ligands for Organometallic Complexes For decades, ligands such as phosphanes or cyclopentadienyl ring derivatives have dominated Coordination and Organometallic Chemistry. At the same time, alternative compounds have emerged that could compete either for a more practical and accessible synthesis or for greater control of steric and electronic properties. Guanidines, nitrogen-rich compounds, appear as one such potential alternatives as ligands or proligands. In addition to occurring in a plethora of natural compounds, and thus in compounds of pharmacological use, guanidines allow a wide variety of coordination modes to different metal centers along the periodic table, with their monoanionic chelate derivatives being the most common. In this review, we focused on the organometallic chemistry of guanidinato compounds, discussing selected examples of coordination modes, reactivity and uses in catalysis or materials science. We believe that these amazing ligands offer a new promise in Organometallic Chemistry. Organometallic chemistry ; Steric effects ; Chemistry ; Coordination complex ; Group 2 organometallic chemistry ; Cyclopentadienyl complex ; Reactivity (psychology) ; Combinatorial chemistry ; Catalysis ; Chelation ; Organic chemistry ; Metal ; Molecule Organometallic Complex Synthesis and Catalysis ; Metal complexes synthesis and properties ; Magnetism in coordination complexes
Authors: Hyunbin Choi | Kyueui Lee
Source: Applied Sciences (review, 2022-11-16)
Field: Materials Science — Surfaces, Coatings and Films

Crosslinking Mechanisms of Phenol, Catechol, and Gallol for Synthetic Polyphenols: A Comparative Review Since the first introduction of a synthetic polyphenol called polydopamine, both it and its derivatives have received significant attention from material scientists owing to their unique functionality. In particular, synthetic polyphenols have been utilized as interfacial engineering tools; many important review papers have been published regarding this topic. However, despite those that have focused on the applicability of synthetic polyphenols, fundamental aspects of crosslinking mechanisms and resultant characteristics have still been overlooked in the community. This review covers the mechanisms for building synthetic polyphenols, which are dependent on the number of hydroxyl groups of each phenolic building block. The inherent physicochemical properties of the developed polyphenolic materials are discussed in depth herein. This review can provide guidelines for selecting appropriate phenolic building blocks when designing relevant polyphenolic biomaterials. Polyphenol ; Catechol ; Biochemical engineering ; Chemistry ; Nanotechnology ; Organic chemistry ; Materials science ; Engineering ; Antioxidant Polymer Surface Interaction Studies ; Electrospun Nanofibers in Biomedical Applications ; biodegradable polymer synthesis and properties
Authors: Hanbing Li | Li Wang | Yifei Wei | Wei Yan | Jiangtao Feng
Source: Frontiers in Chemistry (review, 2022-04-05)
Field: Materials Science — Materials Chemistry

Preparation of Templated Materials and Their Application to Typical Pollutants in Wastewater: A Review As the pollution and destruction of global water resources become more and more severe, the treatment of wastewater has attracted significant attention. The template method is a synthetic method in which the template is the main configuration to control, influence, and modify the morphology as well as control the dimensions of the material, thus achieving the properties that determine the material. It is simple, highly reproducible, and predictable, and more importantly, it can effectively control the pore structure, size, and morphology of the material, providing a novel platform for the preparation of adsorbent materials with excellent adsorption properties. This review focuses on the classification of the templates according to their properties and spatial domain-limiting capabilities, reviews the types of hard and soft template materials and their synthetic routes, and further discusses the modulation of the morphological structure of the materials by the introduction of templates. In addition, the application and adsorption mechanisms of heavy metal ions and dyes are reviewed based on the regulatory behavior of the template method. Template ; Template method pattern ; Nanotechnology ; Materials science ; Adsorption ; Limiting ; Wastewater ; Biochemical engineering ; Computer science ; Process engineering ; Environmental science ; Chemistry ; Environmental engineering ; Organic chemistry ; Engineering ; Mechanical engineering Mesoporous Materials and Catalysis ; Metal-Organic Frameworks: Synthesis and Applications ; Covalent Organic Framework Applications
Authors: Shinnosuke Horiuchi | Keisuke Umakoshi
Source: Coordination Chemistry Reviews (article, 2022-11-14)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Recent advances in pyrazolato-bridged homo- and heterometallic polynuclear platinum and palladium complexes Chemistry ; Palladium ; Platinum ; Substituent ; Transition metal ; Pyrazole ; Metal ; Stereochemistry ; Crystallography ; Combinatorial chemistry ; Organic chemistry ; Catalysis Magnetism in coordination complexes ; Organometallic Complex Synthesis and Catalysis ; Metal complexes synthesis and properties
Authors: José L. Hueso | Reyes Mallada | Jesús Santamarı́a
Source: Catalysis Today (article, 2022-10-17)
Field: Chemistry — Organic Chemistry

Gas-solid contactors and catalytic reactors with direct microwave heating: Current status and perspectives Microwave heating (MWH) transforms energy from an electromagnetic wave to heat. In contrast to conventional heating (CH) mechanisms that use slower heat transfer processes via conduction, convection or radiation, microwaves (MW) directly interact with MW susceptor materials and induce a rapid conversion of the electromagnetic energy into heat. This rapid heating provides MWH with distinct features that can be leveraged to increase conversion, selectivity and/or energy efficiency of chemical processes. Here we discuss recent significant advances reported in MWH processes involving gas-solid interactions. Special attention is devoted to key aspects such as the methodologies to accurately determine local temperatures under the influence of electromagnetic (EM). Other relevant aspects such as the consideration of the solid catalyst dielectric properties or the design of novel gas-solid contactor configurations will be discussed. Emerging aspects such as the potential of MWH to minimize secondary by-products in high temperature reactions or to efficiently perform in transient processes, e.g. adsorption-desorption cycles, are highlighted. Finally, current challenges and perspectives towards a wide application of MWH in gas solid contactors will be critically discussed. Susceptor ; Microwave ; Contactor ; Heat transfer ; Thermal conduction ; Process engineering ; Energy transformation ; Dielectric heating ; Convection ; Nuclear engineering ; Current (fluid) ; Materials science ; Chemistry ; Thermodynamics ; Nanotechnology ; Dielectric ; Optoelectronics ; Computer science Microwave-Assisted Synthesis and Applications ; Ammonia Synthesis and Nitrogen Reduction ; Nanomaterials for catalytic reactions
Authors: Vanitha R. Naina | Frederic Krätschmer | Peter W. Roesky
Source: Chemical Communications (review, 2022-01-01)
Field: Chemistry — Organic Chemistry

Selective coordination of coinage metals using orthogonal ligand scaffolds Group 11 metal complexes with their ability to form metallophilic interations are widely pursued to develop multifunctional luminescent materials. Heteronuclear coinage metal complexes are promising candidates to tune electronic and optical properties which are not readily accessed by their homometallic congeners. In this review, we present the concept of orthogonal ligands which are rationally designed to access heteronuclear coinage metal complexes and studied in terms of their photophysical properties. Bifunctional ligands containing soft and hard donor atoms have the potential of providing different coordination modes to selectively synthesise heterobimetallic complexes in a predictable manner. This review deals with ligand sets composed of pyridine, bipyridine- or iminopyridine-substituted NHCs featuring C-N coordination modes, phosphine-based N-heterocycles and amidinate ligand scaffolds comprising of P-N functionalities and mixed phosphine-phosphine oxide with P-O donor sites. Therefore, the scope of this perspective is the discussion of heteronuclear coinage metal complexes supported by recently developed bifunctional ligands in terms of their synthesis, coordination geometries and tunability of optical properties when compared to their homometallic analogues. Heteronuclear molecule ; Ligand (biochemistry) ; Metal ; Combinatorial chemistry ; Chemistry ; Coordination complex ; Stereochemistry ; Nuclear magnetic resonance spectroscopy ; Organic chemistry ; Receptor N-Heterocyclic Carbenes in Organic and Inorganic Chemistry ; Organometallic Complex Synthesis and Catalysis ; Metal-Organic Frameworks: Synthesis and Applications