scholarly journals Supramolecular Structures and Self-Association Processes in Polymer Systems

2016 ◽  
pp. S165-S178 ◽  
Author(s):  
M. HRUBÝ ◽  
S. K. FILIPPOV ◽  
P. ŠTĚPÁNEK
Keyword(s):  
Self Assembly ◽  
Targeted Delivery ◽  
Aqueous Media ◽  
Polymer System ◽  
Chemical Properties ◽  
Building Blocks ◽  
Self Organization ◽  
Triggered Release ◽  
Polymer Systems ◽  
Self Association

Self-organization in a polymer system appears when a balance is achieved between long-range repulsive and short-range attractive forces between the chemically different building blocks. Block copolymers forming supramolecular assemblies in aqueous media represent materials which are extremely useful for the construction of drug delivery systems especially for cancer applications. Such formulations suppress unwanted physico-chemical properties of the encapsulated drugs, modify biodistribution of the drugs towards targeted delivery into tissue of interest and allow triggered release of the active cargo. In this review, we focus on general principles of polymer self-organization in solution, phase separation in polymer systems (driven by external stimuli, especially by changes in temperature, pH, solvent change and light) and on effects of copolymer architecture on the self-assembly process.

Constructive Molecular Dynamics Lattice Gases: Three-Dimensional Molecular Self-Assembly

2003 ◽  
Author(s):  
Martin Nilsson ◽  
Steen Rasmussen
Keyword(s):  
Molecular Dynamics ◽  
Self Assembly ◽  
Lattice Gas ◽  
Chemical Properties ◽  
Special Kind ◽  
Lattice Gases ◽  
Living Systems ◽  
Self Organization ◽  
Assembly Systems ◽  
Formal Systems

Realistic molecular dynamics and self-assembly is represented in a lattice simulation where water, water-hydrocarbons, and water-amphiphilic systems are investigated. The details of the phase separation dynamics and the constructive self-assembly dynamics are discussed and compared to the corresponding experimental systems. The method used to represent the different molecular types can easily be expended to include additional molecules and thus allow the assembly of more complex structures. This molecular dynamics (MD) lattice gas fills a modeling gap between traditional MD and lattice gas methods. Both molecular objects and force fields are represented by propagating information particles and all microscopic interactions are reversible. Living systems, perhaps the ultimate constructive dynamical systems, is the motivation for this work and our focus is a study of the dynamics of molecular self-assembly and self-organization. In living systems, matter is organized such that it spontaneously constructs intricate functionalities at all levels from the molecules up to the organism and beyond. At the lower levels of description, chemical reactions, molecular selfassembly and self-organization are the drivers of this complexity. We shall, in this chapter, demonstrate how molecular self-assembly and selforganization processes can be represented in formal systems. The formal systems are to be denned as a special kind of lattice gas and they are in a form where an obvious correspondence exists between the observables in the lattice gases and the experimentally observed properties in the molecular self-assembly systems. This has the clear advantage that by using these formal systems, theory, simulation, and experiment can be conducted in concert and can mutually support each other. However, a disadvantage also exists because analytical results are difficult to obtain for these formal systems due to their inherent complexity dictated by their necessary realism. The key to novelt simpler molecules (from lower levels), dynamical hierarchies are formed [2, 3]. Dynamical hierarchies are characterized by distinct observable functionalities at multiple levels of description. Since these higher-order structures are generated spontaneously due to the physico-chemical properties of their building blocks, complexity can come for free in molecular self-assembly systems. Through such processes, matter apparently can program itself into structures that constitute living systems [11, 27, 30].

scholarly journals Towards Complex Matter: Supramolecular Chemistry and Self-organization

2009 ◽  
Vol 17 (2) ◽  
pp. 263-280 ◽  
Author(s):  
Jean-Marie Lehn
Keyword(s):  
Supramolecular Chemistry ◽  
Self Assembly ◽  
Building Blocks ◽  
Intermolecular Forces ◽  
Self Organization ◽  
Irreversible Processes ◽  
Continuous Change ◽  
Supramolecular Systems ◽  
Molecular Information ◽  
Complex Matter

Chemistry has developed from molecular chemistry, mastering the combination and recombination of atoms into increasingly complex molecules, to supramolecular chemistry, harnessing intermolecular forces for the generation of informed supramolecular systems and processes through the implementation of molecular information carried by electromagnetic interactions. Supramolecular chemistry is actively exploring systems undergoing self-organization, i.e. systems capable of spontaneously generating well-defined functional supramolecular architectures by self-assembly from their components, on the basis of the molecular information stored in the covalent framework of the components and read out at the supramolecular level through specific molecular recognition interactional algorithms, thus behaving as programmed chemical systems. Supramolecular entities as well as molecules containing reversible bonds are able to undergo a continuous change in constitution by reorganization and exchange of building blocks. This capability defines a Constitutional Dynamic Chemistry (CDC) on both the molecular and supramolecular levels. CDC introduces a paradigm shift with respect to constitutionally static chemistry. It takes advantage of dynamic constitutional diversity to allow variation and selection and thus adaptation. The merging of the features of supramolecular systems – information and programmability; dynamics and reversibility; constitution and structural diversity – points towards the emergence of adaptive chemistry. A further development will concern the inclusion of the arrow of time, i.e. of non-equilibrium, irreversible processes and the exploration of the frontiers of chemical evolution towards the establishment of evolutive chemistry, where the features acquired by adaptation are conserved and transmitted. In combination with the corresponding fields of physics and biology, chemistry thus plays a major role in the progressive elaboration of a science of informed, organized, evolutive matter, a science of complex matter.

scholarly journals Accelerated discovery of nanomaterials using computer simulation

2018 ◽  
Vol 56 (5) ◽  
Author(s):  
Trung Dac Nguyen ◽  
Hanh Thi Hong Nguyen ◽  
Minh Duy Le ◽  
Hung Xuan Truong
Keyword(s):  
Computer Simulation ◽  
Self Assembly ◽  
Cost Effective ◽  
Building Blocks ◽  
Theoretical Background ◽  
Self Organization ◽  
New Materials ◽  
Complex Interplay ◽  
The Past ◽  
Assembly Pathways

Next-generation nanotechnology demands new materials and devices that are highly efficient, multifunctional, cost-effective and environmental friendly. The need to accelerate the discovery of new materials therefore becomes more pressing than ever. Over the past two decades, self-assembly techniques have provided a promising means for fabricating nanomaterials, where the underlying structures are formed by the self-organization of building blocks, such as nanoparticles, colloids and block copolymers, in a similar fashion to biological systems. The fundamental challenges to these bottom techniques are to design suitable assembling units, to tailor their interaction rules and to identify possible assembly pathways. In this report, we will demonstrate how computer simulation has been a powerful tool for tackling these fundamental challenges, providing not only profound insights into the complex interplay between the building blocks’ geometry and their interactions, but also valuable predictions to inspire on-going and future experiment. Theoretical background of self-assembly studies; simulation methods and data analysis tools commonly used will also be discussed.

scholarly journals Control over size, shape, and photonics of self-assembled organic nanocrystals

2020 ◽  
Author(s):  
Chen Shahar ◽  
Yaron Tidhar ◽  
Yunmin Jung ◽  
Haim Weissman ◽  
Sidney R Cohen ◽  
...  
Keyword(s):  
Self Assembly ◽  
Transient Absorption ◽  
Aqueous Media ◽  
Excitation Energy Transfer ◽  
Building Blocks ◽  
Transient Absorption Spectroscopy ◽  
Organic Nanocrystals ◽  
Femtosecond Transient Absorption ◽  
Transmission Electron ◽  
And Function

Facile fabrication of free-floating organic nanocrystals (ONCs) was achieved via kinetically controlled self-assembly of simple amphiphilic perylene diimide building blocks in aqueous media. The ONCs have a thin rectangular shape, with the aspect ratio that is controlled via organic co-solvent (THF) content. The nanocrystals were characterized in solution by cryogenic transmission electron microscopy (cryo-TEM) and small angle X-ray scattering (SAXS); the ONCs retain their structure upon drying as was evidenced by TEM and AFM. Photophysical studies, including femtosecond transient absorption spectroscopy, revealed a distinct influence of the ONC morphology on their photonic properties (excitation energy transfer was observed only in the high aspect ONCs). Convenient control over structure and function of organic nanocrystals can enhance their utility in new and developed technologies.

Emergence of complexity in hierarchically organized chiral particles

Science ◽  
2020 ◽  
Vol 368 (6491) ◽  
pp. 642-648 ◽  
Author(s):  
Wenfeng Jiang ◽  
Zhi-bei Qu ◽  
Prashant Kumar ◽  
Drew Vecchio ◽  
Yuefei Wang ◽  
...  
Keyword(s):  
Self Assembly ◽  
Multiple Scales ◽  
Chemical Properties ◽  
Structural Complexity ◽  
Large Family ◽  
Building Blocks ◽  
Geometrical Complexity ◽  
Complex Architectures ◽  
Gold Thiolate ◽  
Emergence Of Complexity

The structural complexity of composite biomaterials and biomineralized particles arises from the hierarchical ordering of inorganic building blocks over multiple scales. Although empirical observations of complex nanoassemblies are abundant, the physicochemical mechanisms leading to their geometrical complexity are still puzzling, especially for nonuniformly sized components. We report the self-assembly of hierarchically organized particles (HOPs) from polydisperse gold thiolate nanoplatelets with cysteine surface ligands. Graph theory methods indicate that these HOPs, which feature twisted spikes and other morphologies, display higher complexity than their biological counterparts. Their intricate organization emerges from competing chirality-dependent assembly restrictions that render assembly pathways primarily dependent on nanoparticle symmetry rather than size. These findings and HOP phase diagrams open a pathway to a large family of colloids with complex architectures and unusual chiroptical and chemical properties.

Functional self-assembling polypeptide bionanomaterials

2012 ◽  
Vol 40 (4) ◽  
pp. 629-634 ◽  
Author(s):  
Tibor Doles ◽  
Sabina Božič ◽  
Helena Gradišar ◽  
Roman Jerala
Keyword(s):  
Self Assembly ◽  
Biological Systems ◽  
Three Dimensional ◽  
Coiled Coil ◽  
Chemical Properties ◽  
Building Blocks ◽  
External Signal ◽  
Form Complex ◽  
Cell Factories ◽  
Self Assembling

Bionanotechnology seeks to modify and design new biopolymers and their applications and uses biological systems as cell factories for the production of nanomaterials. Molecular self-assembly as the main organizing principle of biological systems is also the driving force for the assembly of artificial bionanomaterials. Protein domains and peptides are particularly attractive as building blocks because of their ability to form complex three-dimensional assemblies from a combination of at least two oligomerization domains that have the oligomerization state of at least two and three respectively. In the present paper, we review the application of polypeptide-based material for the formation of material with nanometre-scale pores that can be used for the separation. Use of antiparallel coiled-coil dimerization domains introduces the possibility of modulation of pore size and chemical properties. Assembly or disassembly of bionanomaterials can be regulated by an external signal as demonstrated by the coumermycin-induced dimerization of the gyrase B domain which triggers the formation of polypeptide assembly.

scholarly journals Self-Assembling Drug Formulations with Tunable Permeability and Biodegradability

Molecules ◽  
2021 ◽  
Vol 26 (22) ◽  
pp. 6786
Author(s):  
Gulnara Gaynanova ◽  
Leysan Vasileva ◽  
Ruslan Kashapov ◽  
Darya Kuznetsova ◽  
Rushana Kushnazarova ◽  
...  
Keyword(s):  
Drug Delivery ◽  
Self Assembly ◽  
Targeted Delivery ◽  
Building Blocks ◽  
Biological Barriers ◽  
Self Assembling ◽  
Low Toxicity ◽  
Natural Building ◽  
Dynamic Structures ◽  
Supramolecular Aggregates

This review focuses on key topics in the field of drug delivery related to the design of nanocarriers answering the biomedicine criteria, including biocompatibility, biodegradability, low toxicity, and the ability to overcome biological barriers. For these reasons, much attention is paid to the amphiphile-based carriers composed of natural building blocks, lipids, and their structural analogues and synthetic surfactants that are capable of self-assembly with the formation of a variety of supramolecular aggregates. The latter are dynamic structures that can be used as nanocontainers for hydrophobic drugs to increase their solubility and bioavailability. In this section, biodegradable cationic surfactants bearing cleavable fragments are discussed, with ester- and carbamate-containing analogs, as well as amino acid derivatives received special attention. Drug delivery through the biological barriers is a challenging task, which is highlighted by the example of transdermal method of drug administration. In this paper, nonionic surfactants are primarily discussed, including their application for the fabrication of nanocarriers, their surfactant-skin interactions, the mechanisms of modulating their permeability, and the factors controlling drug encapsulation, release, and targeted delivery. Different types of nanocarriers are covered, including niosomes, transfersomes, invasomes and chitosomes, with their morphological specificity, beneficial characteristics and limitations discussed.

scholarly journals Lipid self-assembly and lectin-induced reorganization of the plasma membrane

2018 ◽  
Vol 373 (1747) ◽  
pp. 20170117 ◽  
Author(s):  
Taras Sych ◽  
Yves Mély ◽  
Winfried Römer
Keyword(s):  
Plasma Membrane ◽  
Self Assembly ◽  
Cell Biology ◽  
Driving Forces ◽  
Building Blocks ◽  
Bilayer Membrane ◽  
Vital Role ◽  
Self Organization ◽  
Cellular Processes ◽  
Type Character

The plasma membrane represents an outstanding example of self-organization in biology. It plays a vital role in protecting the integrity of the cell interior and regulates meticulously the import and export of diverse substances. Its major building blocks are proteins and lipids, which self-assemble to a fluid lipid bilayer driven mainly by hydrophobic forces. Even if the plasma membrane appears—globally speaking—homogeneous at physiological temperatures, the existence of specialized nano- to micrometre-sized domains of raft-type character within cellular and synthetic membrane systems has been reported. It is hypothesized that these domains are the origin of a plethora of cellular processes, such as signalling or vesicular trafficking. This review intends to highlight the driving forces of lipid self-assembly into a bilayer membrane and the formation of small, transient domains within the plasma membrane. The mechanisms of self-assembly depend on several factors, such as the lipid composition of the membrane and the geometry of lipids. Moreover, the dynamics and organization of glycosphingolipids into nanometre-sized clusters will be discussed, also in the context of multivalent lectins, which cluster several glycosphingolipid receptor molecules and thus create an asymmetric stress between the two membrane leaflets, leading to tubular plasma membrane invaginations. This article is part of the theme issue ‘Self-organization in cell biology’.

Encapsulation Enhanced Dimerization of a Series of 4-Aryl-N-Methylpyridinium Derivatives in Water: New Building Blocks for Self-Assembly in Aqueous Media

2014 ◽  
Vol 9 (6) ◽  
pp. 1530-1534 ◽  
Author(s):  
Ying Zhang ◽  
Tian-You Zhou ◽  
Kang-Da Zhang ◽  
Jin-Ling Dai ◽  
Yuan-Yuan Zhu ◽  
...  
Keyword(s):  
Self Assembly ◽  
Aqueous Media ◽  
Building Blocks

Self-Organization of Nanoscopic Building Blocks into Ordered Assemblies

2004 ◽  
Vol 818 ◽  
Author(s):  
Mark A. Horsch ◽  
Christopher R. Iacovella ◽  
Zhenli Zhang ◽  
Sharon C. Glotzer
Keyword(s):  
Computer Simulation ◽  
Liquid Crystals ◽  
Block Copolymers ◽  
Self Assembly ◽  
Building Blocks ◽  
The Self ◽  
Self Organization

AbstractWe studied the self-assembly of nanoscopic building blocks comprised of polymer-tethered nanoparticles using computer simulation and predict that these building blocks can assemble into mono- and multi-layer sheets and shells. The simulations further demonstrate that for some nanoparticle geometries and tethered nanoparticle topologies, ideas from block copolymers, surfactants and liquid crystals can be used to predict the ordered morphologies attained via self- assembly and that for specific cases the morphologies are consistent with Israelachvili packing rules.

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