Evidence map›Paper›PMID 23283544›Full record

ArticleJournal of molecular modeling2013

Study of DNA base-Li doped SiC nanotubes in aqueous solutions: a computer simulation study.

Sepideh Ketabi, Seyed Majid Hashemianzadeh, Morteza Moghimiwaskasi

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Article in Journal of molecular modeling, 2013. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.

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0citing papers in PubMed
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1 · What the graph read from it

What it found

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The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.

2 · The registry

The trial behind it

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Neither the registry nor the abstract names a trial number. If this is a trial report, that itself is worth knowing.

3 · Its place in the literature

Who cites it

0 citing papers in PubMed.

No citing paper in PubMed yet.

4 · The record

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5 · Who and what money

Authors and funding

3 authors.

Sepideh KetabiDepartment of Chemistry, East Tehran Branch, Islamic Azad University, Tehran, Iran. sketabi@qdiau.ac.ir
Seyed Majid Hashemianzadeh
Morteza Moghimiwaskasi

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

Due to the importance of soluble nanotubes in biological systems, computational research on DNA base functionalized nanotubes is of interest. This study presents the quantitative results of Monte Carlo simulations of Li-doped silicon carbide nanotubes and its nucleic acid base complexes in water. Each species was first modeled by quantum mechanical calculations and then Monte Carlo simulations were applied to study their properties in aqueous solution. Solvation free energies were computed to indicate the solvation behavior of these compounds. The computations show that solvation free energies of the complexes of DNA bases with Li-doped SiC nanotubes are in the order: thymine > cytosine > adenine > guanine. The results of complexation free energies were also used to study the stability of related structures, which indicate that thymine-Li-doped SiC nanotubes produce the most stable compound among the four DNA base complexes.

Indexed as

AdenineCarbon Compounds, InorganicComputer SimulationCytosineDNAGuanineKineticsLithiumMonte Carlo MethodNanotubesQuantum TheorySilicon CompoundsSolutionsThermodynamicsThymineWaterAdenineCarbon Compounds, InorganicCytosineDNAGuanineLithiumsilicon carbideSilicon CompoundsSolutionsThymineWater

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Registered trials

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Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.