Cyclic molecules: Configuration and conformation

Author(s):  
Dipak K. Mandal
2020 ◽  
Vol 24 (24) ◽  
pp. 2823-2844
Author(s):  
Aditya Bhattacharyya

: Multiheteroatom-containing small-sized cyclic molecules such as 2- iminothiazolidines are often found to possess beneficial pharmacological properties. In this review article, the biological significance of 2-iminothiazolidines is discussed and the literature reports published in the last 15 years spanning from 2006 to 2020 describing various preparative routes to access 2-iminothiazolidine derivatives have been categorically and chronologically described. The notable synthetic methods discussed here involve ringexpansion transformations of nonactivated and activated aziridines, thiiranes, epoxides, and other miscellaneous reactions.


Molecules ◽  
2021 ◽  
Vol 26 (10) ◽  
pp. 2889
Author(s):  
Przemyslaw Dopieralski ◽  
Iryna V. Omelchenko ◽  
Zdzislaw Latajka

Despite significant progress in conformational analysis of cyclic molecules, the number of computational studies is still limited while most of that available in the literature data have been obtained long time ago with outdated methods. In present research, we have studied temperature driven conformational changes of the furan ring at three different temperatures. Additionally, the effect of deuteration on the ring dynamics is discussed; in addition, the aromaticity indices following the Bird and HOMA schemes are computed along all trajectories. Our ab initio molecular dynamic simulations revealed that deuteration has changed the furan ring dynamics and the obvious consequences; in addition, the shape and size of molecule are expected to be different.


Polymers ◽  
2019 ◽  
Vol 11 (12) ◽  
pp. 2095
Author(s):  
Dae Hoon Lee ◽  
Yoshinori Arisaka ◽  
Asato Tonegawa ◽  
Tae Woong Kang ◽  
Atsushi Tamura ◽  
...  

The cytocompatibility of biological and synthetic materials is an important issue for biomaterials. Gelatin hydrogels are used as biomaterials because of their biodegradability. We have previously reported that the mechanical properties of gelatin hydrogels are improved by cross-linking with polyrotaxanes, a supramolecular compound composed of many cyclic molecules threaded with a linear polymer. In this study, the ability of gelatin hydrogels cross-linked by polyrotaxanes (polyrotaxane–gelatin hydrogels) for cell cultivation was investigated. Because the amount of polyrotaxanes used for gelatin fabrication is very small, the chemical composition was barely altered. The structure and wettability of these hydrogels are also the same as those of conventional hydrogels. Fibroblasts adhered on polyrotaxane–gelatin hydrogels and conventional hydrogels without any reduction or apoptosis of adherent cells. From these results, the polyrotaxane–gelatin hydrogels have the potential to improve the mechanical properties of gelatin without affecting cytocompatibility. Interestingly, when cells were cultured on polyrotaxane–gelatin hydrogels after repeated stress deformation, the cells were spontaneously oriented to the stretching direction. This cellular response was not observed on conventional hydrogels. These results suggest that the use of a polyrotaxane cross-linking agent can not only improve the strength of hydrogels but can also contribute to controlling reorientation of the gelatin.


2017 ◽  
Vol 8 (10) ◽  
pp. 6904-6910 ◽  
Author(s):  
J. Boshkow ◽  
S. Fischer ◽  
A. M. Bailey ◽  
S. Wolfrum ◽  
E. M. Carreira

Impact of configuration and conformation of selected (+)-danicalipin A diastereomers on biological activity.


1981 ◽  
Vol 206 (2) ◽  
pp. 131-138 ◽  
Author(s):  
R.R. Fraser ◽  
N. Chuaqui-Offermanns ◽  
K.N. Houk ◽  
N.G. Rondan

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