DNA Sequence-Specific Reading by Echinomycin: Role of Hydrogen Bonding and Stacking Interactions

1994 ◽  
Vol 37 (11) ◽  
pp. 1602-1609 ◽  
Author(s):  
Jose Gallego ◽  
F. J. Luque ◽  
Modesto Orozco ◽  
Carolina Burgos ◽  
Julio Alvarez-Builla ◽  
...  
Keyword(s):  
Hydrogen Bonding ◽  
Dna Sequence ◽  
Stacking Interactions ◽  
Specific Reading

scholarly journals The role of π–π stacking and hydrogen-bonding interactions in the assembly of a series of isostructural group IIB coordination compounds

2019 ◽  
Vol 75 (2) ◽  
pp. 178-188 ◽  
Author(s):  
Taraneh Hajiashrafi ◽  
Roghayeh Zekriazadeh ◽  
Keith J. Flanagan ◽  
Farnoush Kia ◽  
Antonio Bauzá ◽  
...  
Keyword(s):  
Hydrogen Bonding ◽  
Solid State ◽  
Coordination Compounds ◽  
Spectroscopic Techniques ◽  
Stacking Interactions ◽  
X Ray Crystallography ◽  
Hydrogen Bonding Interactions ◽  
Π Stacking ◽  
Research Domain

The supramolecular chemistry of coordination compounds has become an important research domain of modern inorganic chemistry. Herein, six isostructural group IIB coordination compounds containing a 2-{[(2-methoxyphenyl)imino]methyl}phenol ligand, namely dichloridobis(2-{(E)-[(2-methoxyphenyl)azaniumylidene]methyl}phenolato-κO)zinc(II), [ZnCl2(C28H26N2O4)], 1, diiodidobis(2-{(E)-[(2-methoxyphenyl)azaniumylidene]methyl}phenolato-κO)zinc(II), [ZnI2(C28H26N2O4)], 2, dibromidobis(2-{(E)-[(2-methoxyphenyl)azaniumylidene]methyl}phenolato-κO)cadmium(II), [CdBr2(C28H26N2O4)], 3, diiodidobis(2-{(E)-[(2-methoxyphenyl)azaniumylidene]methyl}phenolato-κO)cadmium(II), [CdI2(C28H26N2O4)], 4, dichloridobis(2-{(E)-[(2-methoxyphenyl)azaniumylidene]methyl}phenolato-κO)mercury(II), [HgCl2(C28H26N2O4)], 5, and diiodidobis(2-{(E)-[(2-methoxyphenyl)azaniumylidene]methyl}phenolato-κO)mercury(II), [HgI2(C28H26N2O4)], 6, were synthesized and characterized by X-ray crystallography and spectroscopic techniques. All six compounds exhibit an infinite one-dimensional ladder in the solid state governed by the formation of hydrogen-bonding and π–π stacking interactions. The crystal structures of these compounds were studied using geometrical and Hirshfeld surface analyses. They have also been studied using M06-2X/def2-TZVP calculations and Bader's theory of `atoms in molecules'. The energies associated with the interactions, including the contribution of the different forces, have been evaluated. In general, the π–π stacking interactions are stronger than those reported for conventional π–π complexes, which is attributed to the influence of the metal coordination, which is stronger for Zn than either Cd or Hg. The results reported herein might be useful for understanding the solid-state architecture of metal-containing materials that contain M II X 2 subunits and aromatic organic ligands.

Crystal structures of dicarboxy-2,2′-bipyridyl complexes: the role of hydrogen bonding and stacking interactions

2004 ◽  
pp. 492-497 ◽  
Author(s):  
Craig J. Matthews ◽  
Mark R. J. Elsegood ◽  
Gérald Bernardinelli ◽  
William Clegg ◽  
Alan F. Williams
Keyword(s):  
Hydrogen Bonding ◽  
Crystal Structures ◽  
Stacking Interactions

scholarly journals B-DNA structure and stability: the role of hydrogen bonding, π–π stacking interactions, twist-angle, and solvation

2014 ◽  
Vol 12 (26) ◽  
pp. 4691-4700 ◽  
Author(s):  
Jordi Poater ◽  
Marcel Swart ◽  
F. Matthias Bickelhaupt ◽  
Célia Fonseca Guerra
Keyword(s):  
Hydrogen Bonding ◽  
Quantum Chemical ◽  
Twist Angle ◽  
Dna Structure ◽  
Stacking Interactions ◽  
Chemical Analyses ◽  
Structure And Stability ◽  
Π Stacking ◽  
Insight Into

Insight into structure and stability of B-DNA is obtained through systematic quantum chemical analyses of the roles played by hydrogen bonding, π–π stacking, solvation, and twist-angle.

The role of hydrogen bonding in π···π stacking interactions in Ni(II) complex derived from triethanolamine: synthesis, crystal structure, antimicrobial, and DFT studies

2019 ◽  
Vol 45 (11) ◽  
pp. 5649-5664 ◽  
Author(s):  
Muddasra Rubab ◽  
Muhammad Nadeem Akhtar ◽  
Wiktor Zierkiewicz ◽  
Mariusz Michalczyk ◽  
Raziya Nadeem ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Stacking Interactions ◽  
Dft Studies ◽  
Π Stacking

scholarly journals Deciphering the Role of π-Interactions in Polyelectrolyte Complexes Using Rationally Designed Peptides

Polymers ◽  
2021 ◽  
Vol 13 (13) ◽  
pp. 2074
Author(s):  
Sara Tabandeh ◽  
Cristina Elisabeth Lemus ◽  
Lorraine Leon
Keyword(s):  
Hydrogen Bonding ◽  
Phase Separation ◽  
Liquid Phase ◽  
Charge Density ◽  
Secondary Structures ◽  
Liquid Phase Separation ◽  
Polyelectrolyte Complexes ◽  
Π Interactions ◽  
Liquid Liquid Phase Separation

Electrostatic interactions, and specifically π-interactions play a significant role in the liquid-liquid phase separation of proteins and formation of membraneless organelles/or biological condensates. Sequence patterning of peptides allows creating protein-like structures and controlling the chemistry and interactions of the mimetic molecules. A library of oppositely charged polypeptides was designed and synthesized to investigate the role of π-interactions on phase separation and secondary structures of polyelectrolyte complexes. Phenylalanine was chosen as the π-containing residue and was used together with lysine or glutamic acid in the design of positively or negatively charged sequences. The effect of charge density and also the substitution of fluorine on the phenylalanine ring, known to disrupt π-interactions, were investigated. Characterization analysis using MALDI-TOF mass spectroscopy, H NMR, and circular dichroism (CD) confirmed the molecular structure and chiral pattern of peptide sequences. Despite an alternating sequence of chirality previously shown to promote liquid-liquid phase separation, complexes appeared as solid precipitates, suggesting strong interactions between the sequence pairs. The secondary structures of sequence pairs showed the formation of hydrogen-bonded structures with a β-sheet signal in FTIR spectroscopy. The presence of fluorine decreased hydrogen bonding due to its inhibitory effect on π-interactions. π-interactions resulted in enhanced stability of complexes against salt, and higher critical salt concentrations for complexes with more π-containing amino acids. Furthermore, UV-vis spectroscopy showed that sequences containing π-interactions and increased charge density encapsulated a small charged molecule with π-bonds with high efficiency. These findings highlight the interplay between ionic, hydrophobic, hydrogen bonding, and π-interactions in polyelectrolyte complex formation and enhance our understanding of phase separation phenomena in protein-like structures.

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