Structures of the Molecular Components in DNA and RNA with Bond Lengths Interpreted as Sums of Atomic Covalent Radii

Heyrovská, Raji

doi:10.2174/1874199100802010001

Cited by 18 publications

(8 citation statements)

References 6 publications

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“…Importantly, the C-N bond length converged to 1.31 Å, which is considerably reduced from the typical bond lengths of 1.37 to 1.48 Å in the related materials [28]. This strongly suggests the nature of the higher binding energy of the C-N bond [1], which also influences the B-N bonding and extends its length.…”

Section: Resultsmentioning

confidence: 99%

g-B3N3C: a novel two-dimensional graphite-like material

Gao

Niu

et al. 2012

Nanoscale Res Lett

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A novel crystalline structure of hybrid monolayer hexagonal boron nitride (BN) and graphene is predicted by means of the first-principles calculations. This material can be derived via boron or nitrogen atoms which are substituted by carbon atoms evenly in the graphitic BN with vacancies. The corresponding structure is constructed from a BN hexagonal ring linking an additional carbon atom. The unit cell is composed of seven atoms, three of which are boron atoms, three are nitrogen atoms, and one is a carbon atom. It shows a similar space structure as graphene, which is thus coined as g-B3N3C. Two stable topological types associated with the carbon bond formation, i.e., C-N or C-B bonds, are identified. Interestingly, distinct ground states of each type, depending on C-N or C-B bonds, and electronic bandgap as well as magnetic properties within this material have been studied systematically. Our work demonstrates a practical and efficient access to electronic properties of two-dimensional nanostructures, providing an approach to tackling open fundamental questions in bandgap-engineered devices and spintronics.

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Section: Resultsmentioning

confidence: 99%

g-B3N3C: a novel two-dimensional graphite-like material

Gao

Niu

et al. 2012

Nanoscale Res Lett

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“…It was shown 10 in recent years that on using the appropriate atomic covalent radii 9 , it is possible to account for the experimental bond lengths in all molecules including the various components DNA 11 and all the amino acids 12 as sums of the radii of the adjacent atoms. In this paper, the structures of the molecules mentioned in the title are presented below in separate sections.…”

Section: Resultsmentioning

confidence: 99%

Precise Molecular Structures of Cysteine, Cystine, Hydrogen-Bonded Dicysteine, Cysteine Dipeptide, Glutathione and Acetyl Cysteine Based on Additivity of Atomic Radii

Heyrovská

2011

Nat Prec

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Structures of molecules are usually represented by arbitrary line drawings, ball and stick or space filling models. In recent years, the author found that on using the appropriate radii of atoms and ions, bond lengths in inorganic, organic and biomolecules and of hydrogen bonds are exact sums of the radii of the adjacent atoms and or ions. This additivity of atomic radii was shown to hold also for the bond lengths in the twenty essential amino acids. On this basis, the atomic structures of the very important molecules mentioned in the title, have been presented here for the first time. These precise structures and their dimensions are hoped to shed new light into their role in biochemistry, pharmaceutical chemistry, environmental chemistry, biomedicine and in the mechanism of protein folding.

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“…TLS groups for HEPN-MNT structure were determined by TLSMD server (Painter and Merritt, 2006). Additional geometry restraints on covalent bond between Y109 (AfHEPN)/Y104 (SoHEPN) OH and P atom of AMP/ ddAMP were added based on ideal RNA geometry: Y109 OH -P AMP ideal bond length 1.59 A ˚(corresponding to O-P in RNA) and ideal bond angles O1P-P-OH (Y109) 107.4, O2P-P-OH (Y109) 108.3 (Heyrovska, 2008;Parkinson et al, 1996).…”

Section: Crystallization and Cryo-protection Conditionsmentioning

confidence: 99%