Macromolecular assemblies, design

Viruses are macromolecular assemblies designed to contain and protect the genome, and deliver it to a specific host cell. Viruses come in various sizes, shapes, and forms. Some are large and some small, some are rodlike... 

Urry, D. W. (1998). Five axioms for the functional design of peptide-based polymers as molecular machines and materials Principles for macromolecular assemblies. Peptide Sri. 47, 167-178. 

The following italicized qualifiers can be used as both prefixes (e.g. blend-, net-) and connectives (e.g. -blend-, -net-), separated by (a) hyphen(s) from the constituent name(s), to designate the skeletal structure of non-linear macromolecules or macromolecular assemblies ... 

The authors thank Miss Jenny Kolsenik for her skillful artwork. Financial support from the G. M. J. Schmidt Minnerva Center on supermolecular architecture, the Israel Science Foundation, the Helen and Martin Kimmel center for molecular design and the Kimmel-man Center for Macromolecular Assemblies are greatly acknowledged. A. S. Holds the Siegfried and Irma Oilman Professorial Chair. 

Standard molecular mechanics (MM) force fields have been developed that provide a good description of protein structure and dynamics,21 but they cannot be used to model chemical reactions. Molecular dynamics simulations are very important in simulations of protein folding and unfolding,22 an area in which they complement experiments and aid in interpretation of experimental data.23 Molecular dynamics simulations are also important in drug design applications,24 and particularly in studies of protein conformational changes,25,26 simulations of the structure and function of ion channels and other membrane proteins,27-29 and in studies of biological macromolecular assemblies such as F-l-ATPase.30... 

The design, synthesis, characterization and understanding of new molecular and macromolecular assemblies with large macroscopic optical nonlinearities represents a great challenge in modern chemistry, physics, and materials science. Tasks in this active field of photonic materials typify an important theme in contemporary chemistry. 

Source-based nomenclature for non-linear macromolecules and macromolecular assemblies is covered by a 1997 lUPAC documents The types of polymers in these classes, together with their connectives, are given in Table 4 the terms shown may be used as connectives, prefixes, or both to designate the features present. 

D. W. Urry, Five Axioms for the Functional Design of Peptide-Based Polymers as Molecular Machines and Materials Principle for Macromolecular Assemblies. Biopolymers (Peptide Science), 411,167-178 (1998). 

In the context of controlled release, the layer-by-layer fabrication procedure offers potential advantages over conventional protein and nucleic acid encapsulation strategies, including the ability to control the order and location of multiple polymer layers with nanometer scale precision, and the ability to define the concentrations of incorporated materials simply by varying the number of polymer layers incorporated [190-192]. Although numerous reports describe the application of these materials to the sustained release of permeable small molecules [193-197], there are few examples of these assemblies designed to release macromolecular components. Several groups have performed... 

Buchhammer [129] described the design of new materials for removing organic pollutants such as p-nitrophenol or dyes from wastewater. The sorption of solved organic molecules on previously formed PSCs or PECs (PC/PA) was studied. The scheme of complex formation and possible structures is presented in Fig. 14. The sorption capability of such macromolecular assemblies increases with increasing molar mass and hydrophobicity of the macromolecules used. 

Advances in computational capability have raised our ability to model and simulate materials structure and properties to the level at which computer experiments can sometimes offer significant guidance to experimentation, or at least provide significant insights into experimental design and interpretation. For self-assembled macromolecular structures, these simulations can be approached from the atomic-molecular scale through the use of molecular dynamics or finite element analysis. Chapter 6 discusses opportunities in computational chemical science and computational materials science. 

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