Water compatible supramolecular polymers: recent progress

2021 ◽  
Author(s):  
Weiwei Han ◽  
Wei Xiang ◽  
Qingyun Li ◽  
Hanwei Zhang ◽  
Yabi Yang ◽  
...  
Keyword(s):  
Hydrogen Bonding ◽  
Electrostatic Interactions ◽  
Recent Progress ◽  
Polymer Structure ◽  
Supramolecular Polymers ◽  
The Core ◽  
Potential Applications

In this review, we summarize the chemistry of water compatible supramolecular polymers (WCSPs) based on the core supramolecular approaches at play, namely hydrogen-bonding arrays, electrostatic interactions, large π-conjugated subunits, host–guest interactions, and peptide-based systems, respectively. We discuss both synthesis and polymer structure, as well as the underlying design expectations and potential applications.

Recent Progress of Synergistic Supramolecular Polymers: Preparation, Properties and Applications

2020 ◽  
Author(s):  
Yufeng Huo ◽  
Zhenfeng He ◽  
Chao Wang ◽  
Lei Zhang ◽  
Qianyu Xuan ◽  
...  
Keyword(s):  
Hydrogen Bonding ◽  
Recent Progress ◽  
Noncovalent Interactions ◽  
The Self ◽  
Metal Coordination ◽  
Supramolecular Polymers ◽  
Π Stacking ◽  
Self Assembled

Supramolecular polymers combine the properties of traditional polymers and supramolecules. They are normally formed by the self-assembled polymerization driven via noncovalent interactions (such as hydrogen bonding, π-π stacking, metal coordination,...

Recent developments in the construction of metallacycle/metallacage-cored supramolecular polymers via hierarchical self-assembly

2019 ◽  
Vol 55 (56) ◽  
pp. 8036-8059 ◽  
Author(s):  
Bo Li ◽  
Tian He ◽  
Yiqi Fan ◽  
Xinchao Yuan ◽  
Huayu Qiu ◽  
...  
Keyword(s):  
Self Assembly ◽  
Recent Progress ◽  
Supramolecular Polymers ◽  
Feature Article ◽  
Light Emitting ◽  
Recent Developments ◽  
Potential Applications ◽  
Bio Imaging

This feature article summarized the recent progress on the construction of metallacycle/metallacage-cored supramolecular polymers by the hierarchical self-assembly, and the potential applications in the areas of light emitting, sensing, bio-imaging, delivery and release, etc., are also presented.

scholarly journals Spatial segregation of mixed-sized counterions in dendritic polyelectrolytes

2021 ◽  
Vol 11 (1) ◽  
Author(s):  
J. S. Kłos ◽  
J. Paturej
Keyword(s):  
Electrostatic Interactions ◽  
Spatial Separation ◽  
Excluded Volume ◽  
The Core ◽  
Bjerrum Length ◽  
Two Component ◽  
Conformational Properties ◽  
Dynamics Simulations ◽  
Two Parameters ◽  
Swelling Factor

AbstractLangevin dynamics simulations are utilized to study the structure of a dendritic polyelectrolyte embedded in two component mixtures comprised of conventional (small) and bulky counterions. We vary two parameters that trigger conformational properties of the dendrimer: the reduced Bjerrum length, $$\lambda _B^*$$ λ B ∗ , which controls the strength of electrostatic interactions and the number fraction of the bulky counterions, $$f_b$$ f b , which impacts on their steric repulsion. We find that the interplay between the electrostatic and the counterion excluded volume interactions affects the swelling behavior of the molecule. As compared to its neutral counterpart, for weak electrostatic couplings the charged dendrimer exists in swollen conformations whose size remains unaffected by $$f_b$$ f b . For intermediate couplings, the absorption of counterions into the pervaded volume of the dendrimer starts to influence its conformation. Here, the swelling factor exhibits a maximum which can be shifted by increasing $$f_b$$ f b . For strong electrostatic couplings the dendrimer deswells correspondingly to $$f_b$$ f b . In this regime a spatial separation of the counterions into core–shell microstructures is observed. The core of the dendrimer cage is preferentially occupied by the conventional ions, whereas its periphery contains the bulky counterions.

Comparison of P- and As-core-modified porphyrins with the parental porphyrin: a computational study

2021 ◽  
Vol 0 (0) ◽  
Author(s):  
Aleksey E. Kuznetsov
Keyword(s):  
Computational Study ◽  
Electron Delocalization ◽  
Energy Structure ◽  
Frontier Molecular Orbitals ◽  
The Core ◽  
Potential Applications ◽  
Noticeable Reduction ◽  
Internal Electron ◽  
Porphyrin Core ◽  
Homo Lumo

Abstract The first comparative DFT (B3LYP/6-31G*) study of the Zn-porphyrin and its two derivatives, ZnP(P)4 and ZnP(As)4, is reported. For all three species studied, ZnP, ZnP(P)4 and ZnP(As)4, the singlet was calculated to be the lowest-energy structure and singlet-triplet gap was found to decrease from ca. 41—42 kcal/mol for N to ca. 17—18 kcal/mol for P and to ca. 10 kcal/mol for As. Both ZnP(P)4 and ZnP(As)4 were calculated to attain very pronounced bowl-like shapes. The frontier molecular orbitals (MOs) of the core-modified porphyrins are quite similar to the ZnP frontier MOs. For the HOMO-2 of the core-modified porphyrins due to the ZnP(P)4/ZnP(As)4 bowl-like shapes we might suppose the existence of “internal” electron delocalization inside the ZnP(P)4/ZnP(As)4 “bowls”. Noticeable reduction of the HOMO/LUMO gaps was calculated for ZnP(P)4 and ZnP(As)4, by ca. 1.10 and 1.47 eV, respectively, compared to ZnP. The core-modification of porphyrins by P and especially by As was found to result in significant decrease of the charge on Zn-centers, by ca. 0.61—0.67e for P and by ca. 0.69—0.76e for As. Charges on P- and As-centers were computed to have large positive values, ca. 0.41—0.45e and ca. 0.43—0.47e, for P and As, respectively, compared to significant negative values, ca. −0.65 to −0.66e for N. The porphyrin core-modification by heavier N congeners, P and As, can noticeably modify the structures, electronic, and optical properties of porphyrins, thus affecting their reactivity and potential applications.

Influence of Electrostatic Interactions and Hydrogen Bonding on the Activity of Cyclodextrin-based Superoxide Dismutase Models

2001 ◽  
Vol 13 (5) ◽  
pp. 619-625 ◽  
Author(s):  
Alex Fragoso ◽  
Roberto Cao ◽  
Alicia Díz ◽  
Ileana Sånchez ◽  
Leticia Sånchez
Keyword(s):  
Superoxide Dismutase ◽  
Hydrogen Bonding ◽  
Electrostatic Interactions

scholarly journals The N-atom in [N(PR3)2]+ cations (R = Ph, Me) can act as electron donor for (pseudo) anti-electrostatic interactions

CrystEngComm ◽  
2015 ◽  
Vol 17 (20) ◽  
pp. 3768-3771 ◽  
Author(s):  
Antonio Bauzá ◽  
Antonio Frontera ◽  
Tiddo J. Mooibroek ◽  
Jan Reedijk
Keyword(s):  
Hydrogen Bonding ◽  
Electron Donor ◽  
Molecular Hydrogen ◽  
Electrostatic Interactions ◽  
Lone Pair ◽  
Dft Study ◽  
Nitrogen Lone Pair

A CSD analysis and DFT study reveal that the nitrogen lone-pair in [N(PPh3)2]+ is partially intact and involved in intramolecular hydrogen bonding.

Opposing Phase-Segregation and Hydrogen-Bonding Forces in Supramolecular Polymers

2017 ◽  
Vol 56 (42) ◽  
pp. 13016-13020 ◽  
Author(s):  
Senbin Chen ◽  
Tingzi Yan ◽  
Matthias Fischer ◽  
Anton Mordvinkin ◽  
Kay Saalwächter ◽  
...  
Keyword(s):  
Hydrogen Bonding ◽  
Phase Segregation ◽  
Supramolecular Polymers

scholarly journals Concepts for Developing Physical Gels of Chitosan and of Chitosan Derivatives

Gels ◽  
2018 ◽  
Vol 4 (3) ◽  
pp. 67 ◽  
Author(s):  
Pasquale Sacco ◽  
Franco Furlani ◽  
Gaia de Marzo ◽  
Eleonora Marsich ◽  
Sergio Paoletti ◽  
...  
Keyword(s):  
Molecular Weight ◽  
Electrostatic Interactions ◽  
Chitosan Derivatives ◽  
Modified Chitosan ◽  
Physical Chemical ◽  
Degree Of Acetylation ◽  
Potential Applications ◽  
Low Toxicity ◽  
Physical Interactions ◽  
Biomedical Field

Chitosan macro- and micro/nano-gels have gained increasing attention in recent years, especially in the biomedical field, given the well-documented low toxicity, degradability, and non-immunogenicity of this unique biopolymer. In this review we aim at recapitulating the recent gelling concepts for developing chitosan-based physical gels. Specifically, we describe how nowadays it is relatively simple to prepare networks endowed with different sizes and shapes simply by exploiting physical interactions, namely (i) hydrophobic effects and hydrogen bonds—mostly governed by chitosan chemical composition—and (ii) electrostatic interactions, mainly ensured by physical/chemical chitosan features, such as the degree of acetylation and molecular weight, and external parameters, such as pH and ionic strength. Particular emphasis is dedicated to potential applications of this set of materials, especially in tissue engineering and drug delivery sectors. Lastly, we report on chitosan derivatives and their ability to form gels. Additionally, we discuss the recent findings on a lactose-modified chitosan named Chitlac, which has proved to form attractive gels both at the macro- and at the nano-scale.

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