Convergent functional groups. X. Molecular recognition of neutral substrates

1991 ◽  
Vol 113 (1) ◽  
pp. 201-209 ◽  
Author(s):  
K. S. Jeong ◽  
T. Tjivikua ◽  
A. Muehldorf ◽  
G. Deslongchamps ◽  
M. Famulok ◽  
...  
Keyword(s):  
Molecular Recognition ◽  
Functional Groups

ChemInform Abstract: Molecular Recognition with Convergent Functional Groups. Part 7. Energetics of Adenine Binding with Model Receptors

ChemInform ◽  
1989 ◽  
Vol 20 (20) ◽  
Author(s):  
K. WILLIAMS ◽  
B. ASKEW ◽  
P. BALLESTER ◽  
C. BUHR ◽  
K. S. JEONG ◽  
...  
Keyword(s):  
Molecular Recognition ◽  
Functional Groups

Synthesis and characterization of novel Cu(II)–bipyridine complexes having functional groups and their application toward molecular recognition

2005 ◽  
Vol 358 (13) ◽  
pp. 3592-3600 ◽  
Author(s):  
Takahiko Kojima ◽  
Hironori Kitaguchi ◽  
Yoshimitu Tachi ◽  
Mikio Yasutake ◽  
Yoshinori Naruta ◽  
...  
Keyword(s):  
Molecular Recognition ◽  
Functional Groups ◽  
Synthesis And Characterization

Nucleobases in Molecular Recognition: Molecular Adducts of Adenine and Cytosine with COOH Functional Groups

2005 ◽  
Vol 44 (47) ◽  
pp. 7752-7757 ◽  
Author(s):  
Sathyanarayana Reddy Perumalla ◽  
E. Suresh ◽  
Venkateswara Rao Pedireddi
Keyword(s):  
Molecular Recognition ◽  
Functional Groups ◽  
Molecular Adducts

Molecular recognition with convergent functional groups. VI. Synthetic and structural studies with a model receptor for nucleic acid components

1989 ◽  
Vol 111 (3) ◽  
pp. 1082-1090 ◽  
Author(s):  
Ben Askew ◽  
Pablo Ballester ◽  
Chris Buhr ◽  
Kyu Sung Jeong ◽  
Sharon Jones ◽  
...  
Keyword(s):  
Nucleic Acid ◽  
Molecular Recognition ◽  
Functional Groups ◽  
Structural Studies

scholarly journals Consistency and variability of cocrystals containing positional isomers: the self-assembly evolution mechanism of supramolecular synthons of cresol–piperazine

IUCrJ ◽  
2019 ◽  
Vol 6 (6) ◽  
pp. 1064-1073 ◽  
Author(s):  
Na Wang ◽  
Xin Huang ◽  
Lihang Chen ◽  
Jinyue Yang ◽  
Xin Li ◽  
...  
Keyword(s):  
Molecular Recognition ◽  
Functional Groups ◽  
Self Assembly ◽  
Weak Interactions ◽  
Nucleation Theory ◽  
Classical Nucleation Theory ◽  
Positional Isomers ◽  
Supramolecular Synthon ◽  
Supramolecular Synthons ◽  
Assembly Mechanism

The disposition of functional groups can induce variations in the nature and type of interactions and hence affect the molecular recognition and self-assembly mechanism in cocrystals. To better understand the formation of cocrystals on a molecular level, the effects of disposition of functional groups on the formation of cocrystals were systematically and comprehensively investigated using cresol isomers (o-, m-, p-cresol) as model compounds. Consistency and variability in these cocrystals containing positional isomers were found and analyzed. The structures, molecular recognition and self-assembly mechanism of supramolecular synthons in solution and in their corresponding cocrystals were verified by a combined experimental and theoretical calculation approach. It was found that the heterosynthons (heterotrimer or heterodimer) combined with O—H...N hydrogen bonding played a significant role. Hirshfeld surface analysis and computed interaction energy values were used to determine the hierarchical ordering of the weak interactions. The quantitative analyses of charge transfers and molecular electrostatic potential were also applied to reveal and verify the reasons for consistency and variability. Finally, the molecular recognition, self-assembly and evolution process of the supramolecular synthons in solution were investigated. The results confirm that the supramolecular synthon structures formed initially in solution would be carried over to the final cocrystals, and the supramolecular synthon structures are the precursors of cocrystals and the information memory of the cocrystallization process, which is evidence for classical nucleation theory.

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