Self-assembly generation, structural features, and oxidation catalytic properties of new aqua-soluble copper(ii)-aminoalcohol derivatives

2017 ◽  
Vol 4 (6) ◽  
pp. 968-977 ◽  
Author(s):  
Marina V. Kirillova ◽  
Carla I. M. Santos ◽  
Vânia André ◽  
Tiago A. Fernandes ◽  
Sara S. P. Dias ◽  
...  
Keyword(s):  
Self Assembly ◽  
Coordination Compounds ◽  
Catalytic Properties ◽  
Building Blocks ◽  
Structural Features ◽  
Free Oxidation

Multidentate aminoalcohols were applied as unexplored building blocks to generate two novel Cu(ii) coordination compounds that act as efficient catalysts for the mild and acid-promoter-free oxidation of C5–C8 cycloalkanes.

Interplay between H-bonding and interpenetration in an aqueous copper(ii)–aminoalcohol–pyromellitic acid system: self-assembly synthesis, structural features and catalysis

2018 ◽  
Vol 47 (46) ◽  
pp. 16674-16683 ◽  
Author(s):  
Tiago A. Fernandes ◽  
Marina V. Kirillova ◽  
Vânia André ◽  
Alexander M. Kirillov
Keyword(s):  
Self Assembly ◽  
Coordination Compounds ◽  
Building Blocks ◽  
Structural Features ◽  
Acid System ◽  
Pyromellitic Acid ◽  
Self Assembled

Two new copper(ii) coordination compounds were self-assembled from N-methyldiethanolamine and pyromellitic acid as principal building blocks; their structural and catalytic features were investigated.

Zeolates: A Coordination Chemistry View of Metal-Ligand Bonding in Intrazeolite MOCVD Type Precursors and Semiconductor Nanoclusters

1992 ◽  
Vol 277 ◽  
Author(s):  
Geoffrey A. Ozin ◽  
Carol L. Bowes ◽  
Mark R. Steele
Keyword(s):  
Self Assembly ◽  
Materials Science ◽  
Zeolite Y ◽  
Chemical Vapour ◽  
Internal Surface ◽  
Building Blocks ◽  
Structural Features ◽  
Organic Chemical ◽  
Wide Range ◽  
Shape Selective

ABSTRACTVarious MOCVD (metal-organic chemical vapour deposition) type precursors and their self-assembled semiconductor nanocluster products [1] have been investigated in zeolite Y hosts. From analysis of in situ observations (FTIR, UV-vis reflectance, Mössbauer, MAS-NMR) of the reaction sequences and structural features of the precursors and products (EXAFS and Rietveld refinement of powder XRD data) the zeolite is viewed as providing a macrospheroidal, multidendate coordination environment towards encapsulated guests. By thinking about the α- and β-cages of the zeolite Y host effectively as a zeolate ligand composed of interconnected aluminosilicate “crown ether-like” building blocks, the materials chemist is able to better understand and exploit the reactivity and coordination properties of the zeolite internal surface for the anchoring and self-assembly of a wide range of encapsulated guests. This approach helps with the design of synthetic strategies for creating novel guest-host inclusion compounds having possible applications in areas of materials science such as nonlinear optics, quantum electronics, and size/shape selective catalysis.

scholarly journals Inverse Design of Nanoporous Crystalline Reticular Materials with Deep Generative Models

2020 ◽  
Author(s):  
Zhenpeng Yao ◽  
Benjamin Sanchez-Lengeling ◽  
N. Scott Bobbitt ◽  
Benjamin J. Bucior ◽  
Sai Govind Hari Kumar ◽  
...  
Keyword(s):  
Self Assembly ◽  
Metal Organic Framework ◽  
Internal Surface ◽  
Building Blocks ◽  
Structural Features ◽  
Generative Models ◽  
Combinatorial Design ◽  
Surface Areas ◽  
Molecular Building Blocks ◽  
Metal Organic

Reticular frameworks are crystalline porous materials that form <i>via</i> the self-assembly of molecular building blocks (<i>i.e.</i>, nodes and linkers) in different topologies. Many of them have high internal surface areas and other desirable properties for gas storage, separation, and other applications. The notable variety of the possible building blocks and the diverse ways they can be assembled endow reticular frameworks with a near-infinite combinatorial design space, making reticular chemistry both promising and challenging for prospective materials design. Here, we propose an automated nanoporous materials discovery platform powered by a supramolecular variational autoencoder (SmVAE) for the generative design of reticular materials with desired functions. We demonstrate the automated design process with a class of metal-organic framework (MOF) structures and the goal of separating CO<sub>2</sub> from natural gas or flue gas. Our model exhibits high fidelity in capturing structural features and reconstructing MOF structures. We show that the autoencoder has a promising optimization capability when jointly trained with multiple top adsorbent candidates identified for superior gas separation. MOFs discovered here are strongly competitive against some of the best-performing MOFs/zeolites ever reported. This platform lays the groundwork for the design of reticular frameworks for desired applications.

scholarly journals Inverse Design of Nanoporous Crystalline Reticular Materials with Deep Generative Models

2020 ◽  
Author(s):  
Zhenpeng Yao ◽  
Benjamin Sanchez-Lengeling ◽  
N. Scott Bobbitt ◽  
Benjamin J. Bucior ◽  
Sai Govind Hari Kumar ◽  
...  
Keyword(s):  
Self Assembly ◽  
Metal Organic Framework ◽  
Internal Surface ◽  
Building Blocks ◽  
Structural Features ◽  
Generative Models ◽  
Combinatorial Design ◽  
Surface Areas ◽  
Molecular Building Blocks ◽  
Metal Organic

Reticular frameworks are crystalline porous materials that form <i>via</i> the self-assembly of molecular building blocks (<i>i.e.</i>, nodes and linkers) in different topologies. Many of them have high internal surface areas and other desirable properties for gas storage, separation, and other applications. The notable variety of the possible building blocks and the diverse ways they can be assembled endow reticular frameworks with a near-infinite combinatorial design space, making reticular chemistry both promising and challenging for prospective materials design. Here, we propose an automated nanoporous materials discovery platform powered by a supramolecular variational autoencoder (SmVAE) for the generative design of reticular materials with desired functions. We demonstrate the automated design process with a class of metal-organic framework (MOF) structures and the goal of separating CO<sub>2</sub> from natural gas or flue gas. Our model exhibits high fidelity in capturing structural features and reconstructing MOF structures. We show that the autoencoder has a promising optimization capability when jointly trained with multiple top adsorbent candidates identified for superior gas separation. MOFs discovered here are strongly competitive against some of the best-performing MOFs/zeolites ever reported. This platform lays the groundwork for the design of reticular frameworks for desired applications.

scholarly journals Inverse Design of Nanoporous Crystalline Reticular Materials with Deep Generative Models

2020 ◽  
Author(s):  
Zhenpeng Yao ◽  
Benjamin Sanchez-Lengeling ◽  
N. Scott Bobbitt ◽  
Benjamin J. Bucior ◽  
Sai Govind Hari Kumar ◽  
...  
Keyword(s):  
Self Assembly ◽  
Metal Organic Framework ◽  
Internal Surface ◽  
Building Blocks ◽  
Structural Features ◽  
Generative Models ◽  
Combinatorial Design ◽  
Surface Areas ◽  
Molecular Building Blocks ◽  
Metal Organic

Reticular frameworks are crystalline porous materials that form <i>via</i> the self-assembly of molecular building blocks (<i>i.e.</i>, nodes and linkers) in different topologies. Many of them have high internal surface areas and other desirable properties for gas storage, separation, and other applications. The notable variety of the possible building blocks and the diverse ways they can be assembled endow reticular frameworks with a near-infinite combinatorial design space, making reticular chemistry both promising and challenging for prospective materials design. Here, we propose an automated nanoporous materials discovery platform powered by a supramolecular variational autoencoder (SmVAE) for the generative design of reticular materials with desired functions. We demonstrate the automated design process with a class of metal-organic framework (MOF) structures and the goal of separating CO<sub>2</sub> from natural gas or flue gas. Our model exhibits high fidelity in capturing structural features and reconstructing MOF structures. We show that the autoencoder has a promising optimization capability when jointly trained with multiple top adsorbent candidates identified for superior gas separation. MOFs discovered here are strongly competitive against some of the best-performing MOFs/zeolites ever reported. This platform lays the groundwork for the design of reticular frameworks for desired applications.

Silver(I) 1,3,5-Triaza-7-phosphaadamantane Coordination Polymers Driven by Substituted Glutarate and Malonate Building Blocks: Self-Assembly Synthesis, Structural Features, and Antimicrobial Properties

2016 ◽  
Vol 55 (12) ◽  
pp. 5886-5894 ◽  
Author(s):  
Sabina W. Jaros ◽  
M. Fátima C. Guedes da Silva ◽  
Magdalena Florek ◽  
Piotr Smoleński ◽  
Armando J. L. Pombeiro ◽  
...  
Keyword(s):  
Coordination Polymers ◽  
Self Assembly ◽  
Antimicrobial Properties ◽  
Building Blocks ◽  
Structural Features

A variety of metal–organic and supramolecular networks constructed from a new flexible multifunctional building block bearing picolinate and terephthalate functionalities: hydrothermal self-assembly, structural features, magnetic and luminescent properties

RSC Advances ◽  
2015 ◽  
Vol 5 (106) ◽  
pp. 87484-87495 ◽  
Author(s):  
Yong-Liang Shao ◽  
Yan-Hui Cui ◽  
Jin-Zhong Gu ◽  
Alexander M. Kirillov ◽  
Jiang Wu ◽  
...  
Keyword(s):  
Self Assembly ◽  
Building Block ◽  
Coordination Compounds ◽  
Luminescent Properties ◽  
Structural Features ◽  
Metal Organic ◽  
Supramolecular Networks

A novel multifunctional building block was designed and applied for the synthesis of diverse coordination compounds.

Comparison of halogen bonding networks with Ru(ii) complexes and analysis of the influence of the XB interactions on their reactivity

2017 ◽  
Vol 203 ◽  
pp. 257-283 ◽  
Author(s):  
Marta E. G. Mosquera ◽  
Irene Egido ◽  
Carlos Hortelano ◽  
María López-López ◽  
Pilar Gómez-Sal
Keyword(s):  
Coordination Compounds ◽  
Analogous Result ◽  
Halogen Bonding ◽  
Building Blocks ◽  
Structural Features ◽  
Isocyanide Ligands ◽  
Unexpected Reaction ◽  
Chloride Ligand ◽  
Chloride Ligands ◽  
Supramolecular Networks

Coordination compounds of formula [Ru(Cl)2(CNR)4] are interesting building blocks for the preparation of halogen bonding supramolecular networks, since the chloride ligand is a good XB acceptor. When using I2 as the XB donor, an unexpected reaction on the ruthenium coordination sphere happens where the chloride ligands are substituted by iodides. The isolation of several intermediates with different substitution degrees and showing XB interactions in a solid state network evidenced the clear influence of the XB species in this unusual reaction process. The extension of the studies to bromine gave the analogous result, i.e. the substitution of the chloride ligands by bromides. Furthermore, changing the organic substituent in the isocyanide ligands from alkyl to aryl does not affect the outcome of the reaction; however the process is faster when the alkyl substituents are present. In the course of the study of these reactions we have isolated a whole range of XB-based networks were interactions such as Cl⋯I–I, Br⋯Br–Br, I⋯I–I and I⋯Br–Br are present, a systematic comparison of the XB structural features for the different networks isolated and the influence in their reactivity has been performed.

scholarly journals Recent Advances and Applications of Plant-Based Bioactive Saponins in Colloidal Multiphase Food Systems

Molecules ◽  
2021 ◽  
Vol 26 (19) ◽  
pp. 6075
Author(s):  
Mengyue Xu ◽  
Zhili Wan ◽  
Xiaoquan Yang
Keyword(s):  
Self Assembly ◽  
Food Systems ◽  
Glycyrrhizic Acid ◽  
Biological Activities ◽  
Building Blocks ◽  
Structural Features ◽  
Naturally Occurring ◽  
Aqueous Foams ◽  
Multiphase Systems ◽  
The Relationship

The naturally occurring saponins exhibit remarkable interfacial activity and also possess many biological activities linking to human health benefits, which make them particularly attractive as bifunctional building blocks for formulation of colloidal multiphase food systems. This review focuses on two commonly used food-grade saponins, Quillaja saponins (QS) and glycyrrhizic acid (GA), with the aim of clarifying the relationship between the structural features of saponin molecules and their subsequent self-assembly and interfacial properties. The recent applications of these two saponins in various colloidal multiphase systems, including liquid emulsions, gel emulsions, aqueous foams and complex emulsion foams, are then discussed. A particular emphasis is on the unique use of GA and GA nanofibrils as sole stabilizers for fabricating various multiphase food systems with many advanced qualities including simplicity, ultrastability, stimulability, structural viscoelasticity and processability. These natural saponin and saponin-based colloids are expected to be used as sustainable, plant-based ingredients for designing future foods, cosmetics and pharmaceuticals.

scholarly journals Microalgae-Templated Spray Drying for Hierarchical and Porous Fe3O4/C Composite Microspheres as Li-ion Battery Anode Materials

Nanomaterials ◽  
2020 ◽  
Vol 10 (10) ◽  
pp. 2074
Author(s):  
Jinseok Park ◽  
Jungmin Kim ◽  
Dae Soo Jung ◽  
Isheunesu Phiri ◽  
Hyeon-Su Bae ◽  
...  
Keyword(s):  
Spray Drying ◽  
Self Assembly ◽  
Anode Materials ◽  
Building Blocks ◽  
Structural Features ◽  
Composite Microspheres ◽  
Hierarchical Porous ◽  
Li Ion ◽  
Superior Cycling Stability ◽  
A Current

A method of microalgae-templated spray drying to develop hierarchical porous Fe3O4/C composite microspheres as anode materials for Li-ion batteries was developed. During the spray-drying process, individual microalgae serve as building blocks of raspberry-like hollow microspheres via self-assembly. In the present study, microalgae-derived carbon matrices, naturally doped heteroatoms, and hierarchical porous structural features synergistically contributed to the high electrochemical performance of the Fe3O4/C composite microspheres, enabling a discharge capacity of 1375 mA·h·g−1 after 700 cycles at a current density of 1 A/g. Notably, the microalgal frameworks of the Fe3O4/C composite microspheres were maintained over the course of charge/discharge cycling, thus demonstrating the structural stability of the composite microspheres against pulverization. In contrast, the sample fabricated without microalgal templating showed significant capacity drops (up to ~40% of initial capacity) during the early cycles. Clearly, templating of microalgae endows anode materials with superior cycling stability.

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