scholarly journals Fe(III) Complexes Based on Mono- and Bis-pyrazolyl-s-triazine Ligands: Synthesis, Molecular Structure, Hirshfeld, and Antimicrobial Evaluations

Molecules ◽  
2020 ◽  
Vol 25 (23) ◽  
pp. 5750
Author(s):  
Saied M. Soliman ◽  
Hessa H. Al-Rasheed ◽  
Jörg H. Albering ◽  
Ayman El-Faham
Keyword(s):  
Self Assembly ◽  
Outer Sphere ◽  
Molecular Packing ◽  
The Self ◽  
Water Molecules ◽  
Pincer Ligand ◽  
Outer Sphere Complex ◽  
Antibacterial And Antifungal Activities ◽  
Antibacterial And Antifungal ◽  
Protonated Ligand

The self-assembly of iron(III) chloride with three pyrazolyl-s-triazine ligands, namely 2,4-bis(3,5-dimethyl-1H-pyrazol-1-yl)-6-(piperidin-1-yl)-1,3,5-triazine (PipBPT), 4-(4,6-bis(3,5-dimethyl-1H-pyrazol-1-yl)-1,3,5-triazin-2-yl)morpholine (MorphBPT), and 4,4’-(6-(3,5-dimethyl-1H-pyrazol-1-yl)-1,3,5-triazine-2,4-diyl)dimorpholine (bisMorphPT) afforded [Fe(PipBPT)Cl2][FeCl4] (1), [Fe(MorphBPT)Cl2][FeCl4] (2), and [H(bisMorphPT)][FeCl4]. bisMorphPT.2H2O (3), respectively, in good yield. In complexes 1 and 2, the Fe(III) is pentacoordinated with three Fe-N interactions from the pincer ligand and two coordinated chloride anions in the inner sphere, and FeCl4¯ in the outer sphere. Complex 3 is comprised of one protonated ligand as cationic part, one FeCl4¯ anion, and one neutral bisMorphPT molecule in addition to two crystallized water molecules. Analysis of molecular packing using Hirshfeld calculations indicated that H…H and Cl…H are the most important in the molecular packing. They comprised 40.1% and 37.4%, respectively in 1 and 32.4% and 37.8%, respectively in 2. Complex 1 exhibited the most bioactivity against the tested microbes while 3 had the lowest bioactivity. The bisMorphPT and MorphBPT were inactive towards the tested microbes while PipBPT was active. As a whole, the Fe(III) complexes have enhanced antibacterial and antifungal activities as compared to the free ligands.

The Dynamics, energetics and selectivity of water chain-containing aquapores created by the self-assembly of aquafoldamer molecules

2015 ◽  
Vol 13 (43) ◽  
pp. 10613-10619 ◽  
Author(s):  
Wenliang Ma ◽  
Chunquan Wang ◽  
Juntong Li ◽  
Kun Zhang ◽  
Yu-Jing Lu ◽  
...  
Keyword(s):  
Self Assembly ◽  
The Self ◽  
Water Molecules ◽  
Water Chain ◽  
Self Assembled

Self-assembled hollow tubular aquapores were found to be stable, very dynamic yet highly selective toward recognition of water molecules.

Poly[di-μ-aqua-μ-1,2-bis(pyridin-4-yl)ethene-κ2N:N′-tetrakis(4-iodobenzoato-κ2O,O′)dicadmium]

2011 ◽  
Vol 68 (1) ◽  
pp. m21-m23 ◽  
Author(s):  
Dong Liu ◽  
Ni-Ya Li
Keyword(s):  
Self Assembly ◽  
Title Compound ◽  
The Self ◽  
Dimensional Structure ◽  
Water Molecules ◽  
Two Dimensional ◽  
Coordination Environment ◽  
Iodobenzoic Acid

Colourless crystals of the title compound, [Cd2(C7H4IO2)4(C12H10N2)(H2O)2]n, were obtained by the self-assembly of Cd(NO3)2·4H2O, 1,2-bis(pyridin-4-yl)ethene (bpe) and 4-iodobenzoic acid (4-IBA). Each CdIIatom is seven-coordinated in a pentagonal–bipyramidal coordination environment by four carboxylate O atoms from two different 4-IBA ligands, two O atoms from two water molecules and one N atom from a bpe ligand. The CdIIcentres are bridged by the aqua molecules and bpe ligands, which lie across centres of inversion, to give a two-dimensional net. Topologically, taking the CdIIatoms as nodes and the μ-aqua and μ-bpe ligands as linkers, the two-dimensional structure can be simplified as a (6,3) network.

Self-assembly of water molecules using graphene nanoresonators

RSC Advances ◽  
2016 ◽  
Vol 6 (112) ◽  
pp. 110466-110470 ◽  
Author(s):  
Cuixia Wang ◽  
Chao Zhang ◽  
Jin-Wu Jiang ◽  
Ning Wei ◽  
Harold S. Park ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Self Assembly ◽  
Higher Order ◽  
The Self ◽  
Water Molecules ◽  
Classical Molecular Dynamics ◽  
Resonant Modes

Inspired by macroscale self-assembly using the higher order resonant modes of Chladni plates, we use classical molecular dynamics to investigate the self-assembly of water molecules using graphene nanoresonators.

Crystal structure of the supramolecular linear polymer formed by the self-assembly of mono-6-deoxy-6-adamantylamide-β-cyclodextrin

2004 ◽  
Vol 60 (2) ◽  
pp. 204-210 ◽  
Author(s):  
Victor Hugo Soto Tellini ◽  
Aida Jover ◽  
Luciano Galantini ◽  
Francisco Meijide ◽  
José Vázquez Tato
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Self Assembly ◽  
The Self ◽  
Linear Polymer ◽  
Water Molecules ◽  
Orthorhombic Space Group ◽  
Cyclodextrin Cavity ◽  
Adjacent Molecule ◽  
Secondary Side

Mono-6-deoxy-6-adamantylamide-β-cyclodextrin–dimethylformamide–15H2O, C53H85NO35·C3H7NO·15H2O, crystallizes in the orthorhombic space group P212121. The adamantyl group is inserted into the cyclodextrin cavity of the adjacent molecule, entering by the side of the secondary hydroxy rim, thus forming a supramolecular linear polymer by self-assembly. Adjacent macrocycles are linked into columns by hydrogen bonds involving the nearest glucose residues, and the structure is further stabilized by their involvement in hydrogen bonding with water molecules which reside in channels surrounding the polymer columns, thus acting as bridges between the cyclodextrin units. The centroid of the adamantyl group lies below the plane formed by the seven glycosidic O atoms of the host cyclodextrin, excluding water molecules from the secondary side of β-cyclodextrin (β-CD). Between the adamantyl group and the primary hydroxy rim of the cyclodextrin cavity lies a dimethylformamide molecule, which shields the hydrophobic adamantyl group from the primary hydroxy rim of its carrying β-CD and excludes water molecules from the primary side of the β-CD cavity.

Neutron Reflectometry of Membrane Protein Assemblies at the Solid/Liquid Interface

2005 ◽  
Vol 58 (9) ◽  
pp. 674 ◽  
Author(s):  
Stephen A. Holt ◽  
Jeremy H. Lakey ◽  
Sofian M. Daud ◽  
Neil Keegan
Keyword(s):  
Quantitative Analysis ◽  
Membrane Protein ◽  
Self Assembly ◽  
Neutron Reflectometry ◽  
The Self ◽  
Water Molecules ◽  
Gold Substrate ◽  
Protein Assemblies ◽  
Solid Liquid Interface ◽  
Solid Liquid

Neutron reflectometry has been used to study the self-assembly of a membrane protein, OmpF, onto a gold-coated silicon substrate from solution. OmpF associates into trimers and has been modified so that each trimer binds to the gold substrate through cysteine residues. Quantitative analysis of the data revealed that 12% of the surface was covered by the oriented protein with 27600 water molecules surrounding each trimer.

The role of water and influence of hydrogen bonding on the self-assembly aggregation induced emission of an anthracene-guanidine-derivative

2020 ◽  
Vol 56 (29) ◽  
pp. 4102-4105 ◽  
Author(s):  
Pedro J. Pacheco-Liñán ◽  
Cristina Martín ◽  
Carlos Alonso-Moreno ◽  
Alberto Juan ◽  
Daniel Hermida-Merino ◽  
...  
Keyword(s):  
Hydrogen Bonding ◽  
Ground State ◽  
Self Assembly ◽  
Environmentally Friendly ◽  
The Self ◽  
Water Molecules ◽  
Aggregation Induced Emission ◽  
Guanidine Derivative ◽  
New Framework

New AIEGen was obtained (QY = 1) based on the formation of an aggregate-dimer in the ground state assisted by water molecules. The inclusion of guanidine group is crucial to open a new framework for developing more environmentally friendly AIEGen.

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