Designing Nanostructured Hybrid Inorganic-biological Materials via the Self-assembly

2013 ◽  
Vol 1569 ◽  
pp. 51-56 ◽  
Author(s):  
Evan Koufos ◽  
Meenakshi Dutt
Keyword(s):  
Material Characterization ◽  
Building Blocks ◽  
Biological Materials ◽  
Hybrid Nanostructures ◽  
Head Group ◽  
Specific Class ◽  
Multiple Control ◽  
Mesoscopic Simulation ◽  
Equilibrium Morphology ◽  
Functionalized Nanotubes

ABSTRACTOur objective is to design nanostructured hybrid inorganic-biological materials using the selfassembly of functionalized nanotubes and lipid molecules. In this presentation, we summarize the multiple control parameters which direct the equilibrium morphology of a specific class of nanostructured biomaterials. Individual lipid molecules are composed of a hydrophilic head group and two hydrophobic tails. A bare nanotube encompasses an ABA architecture, with a hydrophobic shaft (B) and two hydrophilic ends (A). We introduce hydrophilic hairs at one end of the tube to enable selective transport through the channel. The dimensions of the nanotube are set to minimize its hydrophobic mismatch with the lipid bilayer. We use a Molecular Dynamicsbased mesoscopic simulation technique called Dissipative Particle Dynamics which simultaneously resolves the structure and dynamics of the nanoscopic building blocks and the hybrid aggregate. The amphiphilic lipids and functionalized nanotubes self-assemble into a stable hybrid vesicle or a bicelle in the presence of a hydrophilic solvent. We demonstrate that the morphology of the hybrid structures is directed by factors such as the temperature, the molecular rigidity of the lipid molecules, and the concentration of the nanotubes. We present material characterization of the equilibrium morphology of the various hybrid nanostructures. A combination of the material characterization and the morphologies of the hybrid aggregates can be used to predict the structure and properties of other hybrid materials.

Design and Characterization of Nanostructured Biomaterials via the Self-assembly of Lipids

2013 ◽  
Vol 1498 ◽  
pp. 233-238
Author(s):  
Paul Ludford ◽  
Fikret Aydin ◽  
Meenakshi Dutt
Keyword(s):  
Lipid Bilayers ◽  
Self Assembly ◽  
Dissipative Particle Dynamics ◽  
Building Blocks ◽  
Head Group ◽  
Specific Class ◽  
Multiple Control ◽  
Mesoscopic Simulation ◽  
Lipid Species ◽  
Functionalized Nanotubes

ABSTRACTWe are interested in designing nanostructured biomaterials using nanoscopic building blocks such as functionalized nanotubes and lipid molecules. In our earlier work, we summarized the multiple control parameters which direct the equilibrium morphology of a specific class of nanostructured biomaterials. Individual lipid molecules were composed of a hydrophilic head group and two hydrophobic tails. A bare nanotube encompassed an ABA architecture, with a hydrophobic shaft (B) and two hydrophilic ends (A). We introduced hydrophilic hairs at one end of the tube to enable selective transport through the channel. The dimensions of the nanotube were set to minimize its hydrophobic mismatch with the lipid bilayer. We used a Molecular Dynamics-based mesoscopic simulation technique called Dissipative Particle Dynamics which simultaneously resolves the structure and dynamics of the nanoscopic building blocks and the hybrid aggregate. The amphiphilic lipids and functionalized nanotubes self-assembled into a stable hybrid vesicle or a bicelle in the presence of a hydrophilic solvent. We showed that the morphology of the hybrid structures was directed by factors such as the temperature, the rigidity of the lipid molecules, and the concentration of the nanotubes. Another type of hybrid nanostructured biomaterial could be multi-component lipid bilayers. In this paper, we present approaches to design hybrid nanostructured materials using multiple lipid species with different chemistries and molecular chain stiffness.

scholarly journals ROBUSTNESS-STRENGTH PERFORMANCE OF HIERARCHICAL ALPHA-HELICAL PROTEIN FILAMENTS

2009 ◽  
Vol 01 (01) ◽  
pp. 85-112 ◽  
Author(s):  
ZHAO QIN ◽  
STEVEN CRANFORD ◽  
THEODOR ACKBAROW ◽  
MARKUS J BUEHLER
Keyword(s):  
De Novo ◽  
Hierarchical Structures ◽  
High Strength ◽  
Material Design ◽  
Building Blocks ◽  
Biological Materials ◽  
Strength Performance ◽  
Synthetic Materials ◽  
Helical Protein ◽  
Bioinspired Nanomaterials

An abundant trait of biological protein materials are hierarchical nanostructures, ranging through atomistic, molecular to macroscopic scales. By utilizing the recently developed Hierarchical Bell Model, here we show that the use of hierarchical structures leads to an extended physical dimension in the material design space that resolves the conflict between disparate material properties such as strength and robustness, a limitation faced by many synthetic materials. We report materiomics studies in which we combine a large number of alpha-helical elements in all possible hierarchical combinations and measure their performance in the strength-robustness space while keeping the total material use constant. We find that for a large number of constitutive elements, most random structural combinations of elements (> 98%) lead to either high strength or high robustness, reflecting the so-called banana-curve performance in which strength and robustness are mutually exclusive properties. This banana-curve type behavior is common to most engineered materials. In contrast, for few, very specific types of combinations of the elements in hierarchies (< 2%) it is possible to maintain high strength at high robustness levels. This behavior is reminiscent of naturally observed material performance in biological materials, suggesting that the existence of particular hierarchical structures facilitates a fundamental change of the material performance. The results suggest that biological materials may have developed under evolutionary pressure to yield materials with multiple objectives, such as high strength and high robustness, a trait that can be achieved by utilization of hierarchical structures. Our results indicate that both the formation of hierarchies and the assembly of specific hierarchical structures play a crucial role in achieving these mechanical traits. Our findings may enable the development of self-assembled de novo bioinspired nanomaterials based on peptide and protein building blocks.

scholarly journals Recent advances in biomimetic sensing technologies

2009 ◽  
Vol 367 (1893) ◽  
pp. 1559-1569 ◽  
Author(s):  
E.A.C Johnson ◽  
R.H.C Bonser ◽  
G Jeronimidis
Keyword(s):  
Mechanical Properties ◽  
Molecular Level ◽  
Building Blocks ◽  
Biological Materials ◽  
Science And Engineering ◽  
Innovative Technologies ◽  
Engineering Community ◽  
Levels Of Organization ◽  
New Generation ◽  
Development Structure

The importance of biological materials has long been recognized from the molecular level to higher levels of organization. Whereas, in traditional engineering, hardness and stiffness are considered desirable properties in a material, biology makes considerable and advantageous use of softer, more pliable resources. The development, structure and mechanics of these materials are well documented and will not be covered here. The purpose of this paper is, however, to demonstrate the importance of such materials and, in particular, the functional structures they form. Using only a few simple building blocks, nature is able to develop a plethora of diverse materials, each with a very different set of mechanical properties and from which a seemingly impossibly large number of assorted structures are formed. There is little doubt that this is made possible by the fact that the majority of biological ‘materials’ or ‘structures’ are based on fibres and that these fibres provide opportunities for functional hierarchies. We show how these structures have inspired a new generation of innovative technologies in the science and engineering community. Particular attention is given to the use of insects as models for biomimetically inspired innovations.

Controlled Synthesis of Titanate Nanodisks as Versatile Building Blocks for the Design of Hybrid Nanostructures

2012 ◽  
Vol 124 (27) ◽  
pp. 6712-6716 ◽  
Author(s):  
Cao-Thang Dinh ◽  
Yongbeom Seo ◽  
Thanh-Dinh Nguyen ◽  
Freddy Kleitz ◽  
Trong-On Do
Keyword(s):  
Building Blocks ◽  
Hybrid Nanostructures ◽  
Controlled Synthesis

scholarly journals Classification of self-assembling protein nanoparticle architectures for applications in vaccine design

2017 ◽  
Vol 4 (4) ◽  
pp. 161092 ◽  
Author(s):  
G. Indelicato ◽  
P. Burkhard ◽  
R. Twarock
Keyword(s):  
Self Assembly ◽  
Vaccine Design ◽  
Building Blocks ◽  
Coiled Coils ◽  
Specific Class ◽  
Regular Graphs ◽  
Humoral Immune ◽  
Self Assembling ◽  
Display Systems

We introduce here a mathematical procedure for the structural classification of a specific class of self-assembling protein nanoparticles (SAPNs) that are used as a platform for repetitive antigen display systems. These SAPNs have distinctive geometries as a consequence of the fact that their peptide building blocks are formed from two linked coiled coils that are designed to assemble into trimeric and pentameric clusters. This allows a mathematical description of particle architectures in terms of bipartite (3,5)-regular graphs. Exploiting the relation with fullerene graphs, we provide a complete atlas of SAPN morphologies. The classification enables a detailed understanding of the spectrum of possible particle geometries that can arise in the self-assembly process. Moreover, it provides a toolkit for a systematic exploitation of SAPNs in bioengineering in the context of vaccine design, predicting the density of B-cell epitopes on the SAPN surface, which is critical for a strong humoral immune response.

Designing Genetic Algorithms to Solve GIS Problems

2001 ◽  
Author(s):  
Dirk Thierens ◽  
Mark De Berg
Keyword(s):  
Genetic Algorithms ◽  
Building Block ◽  
Domain Knowledge ◽  
Geographical Information Systems ◽  
Optimal Solution ◽  
Building Blocks ◽  
Geographical Information ◽  
Specific Class ◽  
Map Labeling ◽  
Linkage Learning

What makes a problem hard for a genetic algorithm (GA)? How does one need to design a GA to solve a problem satisfactorily? How does the designer include domain knowledge in the GA? When is a GA suitable to use for solving a problem? These are all legitimate questions. This chapter will offer a view on genetic algorithms that stresses the role of the so-called linkage. Linkage relates to the fact that between the variables of the solution dependencies exist that cause a need to treat those variables as one “block,” since the best setting of each individual variable can only be determined by looking at the other variables as well. The genes that represent these variables will then have to be transferred together. When these genes are set to their optimal values, they constitute a building block. Building blocks will be transferred as a whole during recombination and the building blocks of all the genes make up the optimal solution. As will become apparent, knowing the linkage of a building block is a big advantage and will allow one to design efficient GAs. Sadly, in the majority of problems, the linkage is unknown. This observation has given rise to a lot of development in linkage learning algorithms (for an example, see Kargupta 1996). However, there is a specific class of problems that allows for relatively easy determination of linkage: spatial problems. This is because in these problems, the linkage is geometrically defined. We will focus in this chapter on certain hard problems that arise in the context of geographical information systems and for which the linkage can be easily found. Specifically, we will fully detail the design of a GA for the problem of map labeling, which is an important problem in automated cartography. The map labeling problem for point features is to find a placement for the labels of a set of points such that the number of labels that do not intersect other labels is maximized.

Material Characterization and Compression Molding Simulation of CF-SMC Materials in a Press Rheometry Test

2019 ◽  
Vol 809 ◽  
pp. 467-472
Author(s):  
Dominic Schommer ◽  
Miro Duhovic ◽  
Vitali Romanenko ◽  
Heiko Andrä ◽  
Konrad Steiner ◽  
...  
Keyword(s):  
Material Characterization ◽  
Solid Mechanics ◽  
Influence Factors ◽  
Material Model ◽  
Building Blocks ◽  
Compression Molding ◽  
Point Of View ◽  
Good Prediction ◽  
Fiber Volume ◽  
The Press

The compression molding of sheet molding compounds (SMCs) is typically thought of as a fluid mechanics problem. The usage of CF-SMC with high fiber volume content (over 50%) and long fiber reinforcement structures (up to 50 mm) challenges the feasibility of this point of view. In this work a user-defined material model based on a solid mechanics formulation is developed in LS-DYNA®. The material model is built on a modular principle where the different influence factors caused by the material characteristics form building blocks. The idea is that these blocks are represented by simple mathematical models and interact in a way that forms the overall behavior of the SMC material. To analyze the behavior of the SMC material and create input parameters for the material model it is necessary to perform some kind of material characterization experiment. This paper presents the press rheometry test which can be perform in two variations, differing in terms of specimen size and shape and degree of coverage in the tool. Here the material response to the compression molding can be analyzed and by the visualization of the flow front development the anisotropy and homogeneity of the material can be assessed. For a comparison between the material model and reality the two variations of the press rheometry test are simulated. The simulation results show a good prediction of the experiments. The differences between experiment and simulation can be used to further improve the model in a later process.

Designing Tunable Bio-nanostructured Materials via Self-Assembly of Amphiphilic Lipids and Functionalized Nanotubes

2012 ◽  
Vol 1464 ◽  
Author(s):  
Meenakshi Dutt ◽  
Olga Kuksenok ◽  
Anna C. Balazs
Keyword(s):  
Self Assembly ◽  
Dissipative Particle Dynamics ◽  
Particle Dynamics ◽  
The Self ◽  
Hybrid Structures ◽  
Head Group ◽  
Group A ◽  
Hydrophilic Solvent ◽  
Stable Hybrid ◽  
Functionalized Nanotubes

ABSTRACTVia the Dissipative Particle Dynamics (DPD) approach, we study the self-assembly of hybrid structures comprising lipids and end-functionalized nanotubes. Individual lipids are composed of a hydrophilic head group and two hydrophobic tails. Each bare nanotube encompasses an ABA architecture, with a hydrophobic shaft (B) and two hydrophilic ends (A). To allow for regulated transport through the nanotube, we also introduce hydrophilic hairs at one end of the tube. The amphiphilic lipids are composed of a hydrophilic head group (A) and two hydrophobic tails (B). We select the dimensions of the nanotube architecture to minimize its hydrophobic mismatch with the lipid bilayer. We find the amphiphilic lipids and functionalized nanotubes to self-assemble into a stable hybrid vesicle or a bicelle in the presence of a hydrophilic solvent. We demonstrate that the morphology of the self-assembled functionalized nanotube-lipid hybrid structures is controlled by the rigidity of the lipid molecules and concentration of the nanotubes.

ORGANIZED PLANAR NANOSTRUCTURES VIA INTERFACIAL SELF-ASSEMBLY AND DNA TEMPLATING

2004 ◽  
Vol 03 (01n02) ◽  
pp. 65-74 ◽  
Author(s):  
G. B. KHOMUTOV ◽  
M. N. ANTIPINA ◽  
A. N. SERGEEV-CHERENKOV ◽  
A. A. RAKHNYANSKAYA ◽  
M. ARTEMYEV ◽  
...  
Keyword(s):  
Self Assembly ◽  
Gold Nanoclusters ◽  
Langmuir Monolayers ◽  
Building Blocks ◽  
Pd Nanoparticles ◽  
Hybrid Nanostructures ◽  
Nanocomposite Films ◽  
Transmission Electron ◽  
Low Dimensional ◽  
Microscopy Techniques

The methods are presented for fabrication of new nanoscale-organized planar inorganic nanostructures, ultrathin polymeric and nanocomposite films on solid substrates with incorporated nanosized functional and structural building blocks. The methods are based on interfacial synthesis and self-assembly, DNA templating and scaffolding. Ultimately thin monomolecular and multilayer ordered stable polymeric and nanocomposite films containing incorporated ligand-stabilized gold nanoclusters, interfacially in-film grown metallic ( Au , Pd ) nanoparticles and organized low-dimensional nanostructures were formed. N-alkylated derivatives of poly(4-vinilpyridine) were synthesized and used as water-insoluble amphiphilic polycations to form organized polymeric Langmuir monolayers and novel planar DNA/amphiphilic polycation complexes at the air–aqueous DNA solution interface. The extended net-like and quasi-circular toroidal condensed conformations of deposited planar DNA/amphiphilic polycation complexes were obtained in dependence on the amphiphilic polycation monolayer state during the DNA binding. Planar DNA/amphiphilic polycation complexes were used as nanotemplates for fabrication of organized planar bio-organic–inorganic hybrid nanostructures with ordered nanophase inorganic components (quasi-one-dimensional arrays of semiconductor (CdS) and iron oxide nanoparticles and nanorods) organized in planar matrix of deposited DNA/amphiphilic polycation complex film. The formed nanostructures were characterized by atomic force microscopy and transmission electron microscopy techniques.

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