Journal ArticleDOI
Using a Convenient, Quantitative Model for Torsional Entropy To Establish Qualitative Trends for Molecular Processes That Restrict Conformational Freedom
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In this article, a nonquantum-mechanical, readily applied model is described that estimates torsional entropy (Stor, the entropy associated with torsion motions about a single bond) quantitatively.Abstract:
A non-quantum-mechanical, readily applied model is described that estimates torsional entropy (Stor, the entropy associated with torsional motions about a single bond) quantitatively. Using this model, torsional entropies are evaluated for a variety of molecular arrangements. Qualitative trends emerge from these estimates that are consistent with chemical intuition. The entropy associated with torsional motion is not constant: values of Stor range from 0 to 15 J mol-1 K-1 and are sensitive to details of the bond around which the torsion occurs Important characteristics include the bond length, the hybridization, the symmetry, the sizes of these atoms or groups of atoms, and the extent of conjugation to adjacent bonds. These values are relatively independent of one another in a number of important cases, and therefore the total change in conformational entropy for a given process may be estimated by adding changes in entropy due to restricting torsions around individual bonds. A model that permits quantit...read more
Citations
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Artificial Molecular Rotors
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Beyond click chemistry - supramolecular interactions of 1,2,3-triazoles.
TL;DR: The intention of this review is to provide a detailed analysis of the various supramolecular interactions of triazoles in comparison to established functional units, which may serve as guidelines for further applications.
References
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TL;DR: In this article, a general treatment of internal rotation is given for molecules whose moments of inertia for over-all rotation are independent of internal rotational coordinates, provided the potential energy can be expressed as a sum of terms of this type.
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Patterning self-assembled monolayers using microcontact printing: A new technology for biosensors?
TL;DR: In this paper, a combination of self-assembled monolayers (SAMs) and microcontact printing (μCP) is proposed to pattern the formation of SAMs, with dimensions on the micron scale.
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Effective Inhibitors of Hemagglutination by Influenza Virus Synthesized from Polymers Having Active Ester Groups. Insight into Mechanism of Inhibition
TL;DR: The system comprising polyvalent inhibitors of agglutination of erythrocytes by influenza provides a system that may be useful as a model for inhibitors of other pathogen-host interactions, a large number of which are themselvespolyvalent.