Theoretical Determination of One-Electron Redox Potentials for DNA Bases, Base Pairs, and Stacks

2011 ◽  
Vol 115 (18) ◽  
pp. 4804-4810 ◽  
Author(s):  
Y. Paukku ◽  
G. Hill
Keyword(s):  
Dna Bases ◽  
Redox Potentials ◽  
Base Pairs ◽  
Theoretical Determination

Determination of Redox Potentials for the Watson−Crick Base Pairs, DNA Nucleosides, and Relevant Nucleoside Analogues

2007 ◽  
Vol 111 (19) ◽  
pp. 5386-5395 ◽  
Author(s):  
Carlos E. Crespo-Hernández ◽  
David M. Close ◽  
Leonid Gorb ◽  
Jerzy Leszczynski
Keyword(s):  
Nucleoside Analogues ◽  
Redox Potentials ◽  
Base Pairs

Theoretical progress in the H2+ molecular ion: towards electron to proton mass ratio determinationThis paper was presented at the International Conference on Precision Physics of Simple Atomic Systems, held at École de Physique, les Houches, France, 30 May – 4 June, 2010.

2011 ◽  
Vol 89 (1) ◽  
pp. 103-107 ◽  
Author(s):  
J.-Ph. Karr ◽  
L. Hilico ◽  
V. I. Korobov
Keyword(s):  
High Resolution ◽  
Mass Ratio ◽  
Theoretical Determination ◽  
Atomic Systems ◽  
The Road ◽  
Theoretical Progress ◽  
Proton Mass ◽  
Accuracy Level ◽  
Ratio Determination

High resolution ro-vibrational spectroscopy of H 2+ or HD+ can lead to a significantly improved determination of the electron to proton mass ratio me/mp if the theoretical determination of transition frequencies becomes sufficiently accurate. We report on recent theoretical progress in the description of the hyperfine structure of H 2+ , as well as first steps in the evaluation of radiative corrections at order mα7. Completion of the latter calculation should allow us to reach the projected 10−10 accuracy level and open the road to mass ratio determination.

Combined Experimentaland Theoretical Determination of the Atomic Structure of the (310) Twin in NB

1991 ◽  
Vol 238 ◽  
Author(s):  
Geoffrey H. Campbells ◽  
Wayne E. King ◽  
Stephen M. Foiles ◽  
Peter Gumbsch ◽  
Manfred Rühle
Keyword(s):  
High Resolution ◽  
Theoretical Models ◽  
High Resolution Electron Microscopy ◽  
Interatomic Potentials ◽  
Image Simulation ◽  
Theoretical Determination ◽  
Atomic Structures ◽  
Resolution Electron ◽  
High Resolution Images

ABSTRACTA (310) twin boundary in Nb has been fabricated by diffusion bonding oriented single crystals and characterized using high resolution electron microscopy. Atomic structures for the boundary have been predicted using different interatomic potentials. Comparison of the theoretical models to the high resolution images has been performed through image simulation. On the basis of this comparison, one of the low energy structures predicted by theory can be ruled out.

Quantitative determination of the number of secondary and tertiary structure base pairs in transfer RNA in solution

Biochemistry ◽  
1976 ◽  
Vol 15 (20) ◽  
pp. 4370-4377 ◽  
Author(s):  
P. H. Bolton ◽  
C. R. Jones ◽  
D. Bastedo-Lerner ◽  
K. L. Wong ◽  
D. R. Kearns
Keyword(s):  
Quantitative Determination ◽  
Tertiary Structure ◽  
Transfer Rna ◽  
Base Pairs ◽  
Secondary And Tertiary Structure

O XVII B.2 Determination of endogenous DNA damage, oxidated DNA bases and oxidative stress in primary human colon cells and modulation by plant ingredients

1997 ◽  
Vol 379 (1) ◽  
pp. S171
Author(s):  
Beatrice L. Pool-Zobel ◽  
Salomon L. Abrahamse ◽  
Daniela Oberreuther ◽  
Sylvia Treptow-van Lishaut ◽  
Gerhard Rechkemmer
Keyword(s):  
Oxidative Stress ◽  
Dna Damage ◽  
Human Colon ◽  
Dna Bases ◽  
Colon Cells ◽  
And Oxidative Stress

Theoretical determination of the structures of CaSiO3 perovskites

2006 ◽  
Vol 62 (6) ◽  
pp. 1025-1030 ◽  
Author(s):  
Razvan Caracas ◽  
Renata M. Wentzcovitch
Keyword(s):  
Crystal Structure ◽  
Experimental Data ◽  
Density Functional Theory ◽  
Density Functional ◽  
Theoretical Determination ◽  
Functional Theory ◽  
Starting Point ◽  
Atomic Coordinates ◽  
The Ideal

Density functional theory is used to determine the possible crystal structure of the CaSiO3 perovskites and their evolution under pressure. The ideal cubic perovskite is considered as a starting point for studying several possible lower-symmetry distorted structures. The theoretical lattice parameters and the atomic coordinates for all the structures are determined, and the results are discussed with respect to experimental data.

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