Critical molecular design parameters

Successful molecular evolution that puts strict demands on accurate transfer of molecular information executed by highly precise control of size, shape, topology, flexibility, and surface chemistry at the molecular level. The latter five features have been dubbed critical molecular design parameters. 

Comparison of Synthetic with Evolutionary Strategies for Controlling Critical Molecular Design Parameters (CMDP s) 206... 

These seven italicized criteria are integrated into a variety of (GDS) schemes thus allowing construction of hyperbranched macromolecular structures referred to as dendrons or dendrimers . A direct consequence of this strategy is a systematic molecular morphogenesis [1] with an opportunity to control "critical molecular design parameters (CMDP s) (i.e., size, shape, surface chemistry, topology and flexibility) as one advances with covalent connectivity from molecular reference points (seeds) of picoscopic/sub-nanoscopic size (i.e.. 0.01-1.0 nm) to precise macromolecular structures of nanoscopic dimensions (i.e., 1.0-100 nm) [2]. Genealogically directed synthesis offers a broad and versatile approach to the construction of precise, abiotic nanostructures with predictable sizes, shapes and surface chemistries. 

In this fashion, it is possible to control the critical molecular design parameters (CMDPs, i.e., size, shape, topology, flexibility, and surface chemistry) and grow predictable, stoichiometric structures up to a self-limited dimension (generation) which is determined by Nc and Nb as well as by the dimensions of the structural components. Such space-filling, terminally functionalized molecular organizations have been coined Starburst dendrimers [2]. Two dimensional projections of such molecular morphogenesis [1] are as illustrated in Fig. 2. 

In order to comprehend the complex architectures obtainable from control of a few critical molecular design parameters, consider the following aspects of natural processes from the perspective of these parameters. 

Fig. 6. Critical atomic design parameters (CADPs) and critical molecular design parameters (CMDPs) involved in atomic, molecular, supermolecular and supramolecular aufbau leading to natural and un-natural products...

Without doubt, the solid-phase peptide synthesis (Merrifield method) remains a preferred method for controlling all five critical molecular design parameters (size, shape, topology, flexibility, and surface chemistry) by precisely producing amino-acid sequences in a stepwise fashion. The scope and limitations of this approach have been reviewed [34] and widely recognized [35]. These solid-phase syntheses with protection/deprotection procedures are used routinely to produce numerous, previously unattainable [36], polypeptides and polynucleotides. One of the ultimate synthetic efforts in the control of CMDPs was the total synthesis by Khorana et al. [37] of a DNA molecule in the 1960s. 

Conversion of styrene to polystyrene is an example of such molecular structure, which is repetitive and simple. Relatively little opportunity is offered to precisely control critical molecular design parameters. Although nanostructure dimensions can be attained, virtually no control over atom positions, covalent connectivity or shapes is possible. 

The stfucture of dendrimer depends on the core multiplicity (N ), the branch-cell multiplicity (N ), and the critical molecular design parameters (CMDPs) [30]. A typical branching structure is given below [31],... 

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