scholarly journals S04H5 Thermodynamic properties of the intermolecular interactions involving nucleic acids(Thermodynamic Understanding of the Biomolecular Interactions Based on the Three-Dimensional Structures)

2007 ◽  
Vol 47 (supplement) ◽  
pp. S6
Author(s):  
Hidetaka Torigoe
Langmuir ◽  
2008 ◽  
Vol 24 (4) ◽  
pp. 1194-1203 ◽  
Author(s):  
Volkmar Heinrich ◽  
Wesley P. Wong ◽  
Ken Halvorsen ◽  
Evan Evans

2019 ◽  
Vol 234 (1) ◽  
pp. 59-71 ◽  
Author(s):  
Ligia R. Gomes ◽  
John N. Low ◽  
Nathasha R. de L. Correira ◽  
Thais C.M. Noguiera ◽  
Alessandra C. Pinheiro ◽  
...  

Abstract The crystal structures of four azines, namely 1-3-bis(4-methoxyphenyl)-2,3-diaza-1,4-butadiene, 1, 1,3-bis(2,3-dimethoxyphenyl)-2,3-diaza-1,4-butadiene, 2, 1,3-bis(2-hydroxy-3-methoxyphenyl)-2,3-diaza-1,4-butadiene, 3, and 1,3-bis(2-hydroxy-4-methoxyphenyl)-2,3-diaza-1,4-butadiene, 4, are reported. Molecules of 3 and 4, and both independent molecules of 2, Mol A and Mol B, possess inversion centers. The central C=N–N=C units in each molecule is planar with an (E,E) conformation. The intermolecular interactions found in the four compounds are C–H···O, C–H–N, C–H---π and π---π interactions. However, there is no consistent set of intermolecular interactions for the four compounds. Compound, 1, has a two-dimensional undulating sheet structure, generated from C–H···O and C–H···N intermolecular hydrogen bonds. The only recognized intermolecular interaction in 2 is a C–H···O hydrogen bond, which results in a zig-zag chain of alternating molecules, Mol A and Mol B. While 3 forms a puckered sheet of molecules, solely via C–H···π interactions, its isomeric compound, 4, has a more elaborate three-dimensional structure generated from a combination of C–H···O hydrogen bonds, C–H···π and π···π interactions. The findings in this study, based on both PLATON and Hirshfeld approaches, for the four representative compounds match well the reported structural findings in the literature of related compounds, which are based solely on geometric parameters.


2018 ◽  
Vol 20 (43) ◽  
pp. 27361-27367 ◽  
Author(s):  
Z. Wojnarowska ◽  
W. Smolka ◽  
J. Zotova ◽  
J. Knapik-Kowalczuk ◽  
A. Sherif ◽  
...  

We have investigated two anesthetic agents, lidocaine hydrochloride (LD-HCl) and prilocaine hydrochloride (PRL-HCl), as well as their unionized counterparts, to explore the effect of intermolecular interactions on the formation and thermodynamic properties of eutectic mixtures.


2019 ◽  
Vol 7 (40) ◽  
pp. 12709-12716 ◽  
Author(s):  
Guangxi Huang ◽  
Yuqing Jiang ◽  
Jianguo Wang ◽  
Zhen Li ◽  
Bing Shi Li ◽  
...  

Compact packing and intact three-dimensional hydrogen-bonded networks in single crystals are favorable for ML properties.


Todd has made highly significant contributions to the chemistry of natural products, in particular in relation to compounds which play important roles in biological systems. His researches on vitamins B 1 , E and B 12 were most elegant and have had far-reaching implications, but none more so than his structural and synthetic studies in the nucleic acid field. Here he developed methods for the synthesis of the nucleosides and for their phosphorylation; his work on the way they are combined made possible the subsequent determination of the three-dimensional structure of the nucleic acids thereby providing the basis for much of the exciting activity in the nucleotide field today. Todd’s achievements arise out of a rare combination of theoretical knowledge and outstanding experimental skill, with the most judicious exploitation of modern techniques. His work and his quality as an investigator have been widely recognized by biologists as well as by organic chemists.


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