Quantum Mechanical Characterization of Nucleic Acids in Solution:  A Linear-Scaling Study of Charge Fluctuations in DNA and RNA

2002 ◽  
Vol 106 (31) ◽  
pp. 7693-7703 ◽  
Author(s):  
Jana Khandogin ◽  
Darrin M. York
Keyword(s):  
Nucleic Acids ◽  
Mechanical Characterization ◽  
Quantum Mechanical ◽  
Linear Scaling ◽  
Charge Fluctuations ◽  
Dna And Rna

scholarly journals Polarization spectroscopy methods in the determination of interactions of small molecules with nucleic acids – tutorial

2018 ◽  
Vol 14 ◽  
pp. 84-105 ◽  
Author(s):  
Tamara Šmidlehner ◽  
Ivo Piantanida ◽  
Gennaro Pescitelli
Keyword(s):  
Nucleic Acids ◽  
Small Molecules ◽  
Helical Structure ◽  
Linear Dichroism ◽  
Research Field ◽  
X Ray Diffraction ◽  
Polarization Spectroscopy ◽  
Dna And Rna

The structural characterization of non-covalent complexes between nucleic acids and small molecules (ligands) is of a paramount significance to bioorganic research. Highly informative methods about nucleic acid/ligand complexes such as single crystal X-ray diffraction or NMR spectroscopy cannot be performed under biologically compatible conditions and are extensively time consuming. Therefore, in search for faster methods which can be applied to conditions that are at least similar to the naturally occurring ones, a set of polarization spectroscopy methods has shown highly promising results. Electronic circular dichroism (ECD) is the most commonly used method for the characterization of the helical structure of DNA and RNA and their complexes with ligands. Less common but complementary to ECD, is flow-oriented linear dichroism (LD). Other methods such as vibrational CD (VCD) and emission-based methods (FDCD, CPL), can also be used for suitable samples. Despite the popularity of polarization spectroscopy in biophysics, aside several highly focused reviews on the application of these methods to DNA/RNA research, there is no systematic tutorial covering all mentioned methods as a tool for the characterization of adducts between nucleic acids and small ligands. This tutorial aims to help researchers entering the research field to organize experiments accurately and to interpret the obtained data reliably.

scholarly journals Experimental and Quantum Mechanical Characterization of an Oxygen‐Bridged Plutonium(IV) Dimer

2020 ◽  
Vol 26 (36) ◽  
pp. 8115-8120 ◽  
Author(s):  
Debmalya Ray ◽  
Jing Xie ◽  
Jacob White ◽  
Ginger E. Sigmon ◽  
Laura Gagliardi ◽  
...  
Keyword(s):  
Mechanical Characterization ◽  
Quantum Mechanical

Spectral and Quantum Mechanical Characterization of 3-(2-Benzothiazolyl)-7-(Diethylamino) Coumarin (Coumarin 6) in Binary Solution

2017 ◽  
Vol 50 (17) ◽  
pp. 2740-2754 ◽  
Author(s):  
Daniela Babusca ◽  
Andreea Celia Benchea ◽  
Dan Gheorghe Dimitriu ◽  
Dana Ortansa Dorohoi
Keyword(s):  
Mechanical Characterization ◽  
Binary Solution ◽  
Quantum Mechanical ◽  
Coumarin 6
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