scholarly journals Prediction of the Near-Infrared Absorption Spectrum of Single-Walled Carbon Nanotubes Using a Bayesian Regularized Back Propagation Neural Network Model

2021 ◽  
Vol 7 (4) ◽  
pp. 80
Author(s):  
Takao Onishi ◽  
Yuji Matsukawa ◽  
Yuto Yamazaki ◽  
Daisuke Miyashiro

DNA-wrapped single-walled carbon nanotubes (DNA-SWCNTs) in stable dispersion are expected to be used as biosensors in the future, because they have the property of absorption of light in the near infrared (NIR) region, which is safe for the human body. However, this practical application requires the understanding of the DNA-SWCNTs’ detailed response characteristics. The purpose of this study is to predict, in detail, the response characteristics of the absorption spectra that result when the antioxidant catechin is added to oxidized DNA-SWCNTs, from a small amount of experimental data. Therefore, in the present study, we predicted the characteristics of the absorption spectra of DNA-SWCNTs using the Bayesian regularization backpropagation neural network (BRBPNN) model. The BRBPNN model was trained with the catechin concentration and initial absorption peaks as inputs and the absorption spectra after catechin addition as outputs. The accuracy of the predicted absorption peaks and wavelengths after the addition of catechin, as predicted by the BRBPNN model, was within 1% of the error of the experimental data. By inputting the catechin concentrations under hundreds of conditions into this BRBPNN model, we were able to obtain detailed prediction curves for the absorption peaks. This method has the potential to help to reduce the experimental costs and improve the efficiency of investigating the properties of high-cost materials such as SWCNTs.

2020 ◽  
Vol 6 (2) ◽  
pp. 30
Author(s):  
Yuji Matsukawa ◽  
Kazuo Umemura

It has been reported that even if single-walled carbon nanotubes (SWNTs) are coated with the same polymer, the redox characteristics change of each chirality may differ. Particularly, the addition of hydrogen peroxide (H2O2) minimally affects the near-infrared (NIR) absorption spectra of the dsDNA-(6,5)-enriched SWNT complex (DNA-SWNT complex). Detecting the redox properties of (6,5) chirality using NIR absorption spectra has been one of the issues to be solved. We hypothesized that an oxidizing agent with high oxidizing power is required to detect the absorption spectra of (6,5) chirality. In this study, we used KMnO4, which contains atoms with a high oxidation number. A dispersion was prepared by mixing 0.5 mg of (6,5)-enriched SWNT powder with 1 mg/mL of DNA solution. After adding H2O2 or KMnO4 to this dispersion and oxidizing it, catechin solutions were added to reduce the dispersion. The absorption peak of the DNA-SWNT complex decreased by 23.9% following the addition of KMnO4 (final concentration: 0.5 µM) and recovered 30.7% following the addition of the catechin solution. We revealed that the changes in the absorption spectra change of (6,5) chirality, which could not be detected by H2O2, can be detected by using KMnO4. We also varied the concentration of KMnO4 and verified whether the adsorption of KMnO4 can be modeled as a Langmuir adsorption isotherm.


2012 ◽  
Vol 2012 ◽  
pp. 1-8
Author(s):  
Deok-Jin Yu ◽  
D. Ganta ◽  
Elijah Dale ◽  
A. T. Rosenberger ◽  
James P. Wicksted ◽  
...  

We report on the optical properties of fabricated nanohybrid structures containing Au nanorods and functionalized single-walled carbon nanotubes in aqueous solutions. In particular, the absorption spectra of these hybrid materials are studied as a function of the concentration of the functionalized single-walled carbon nanotubes as well as the evolution time following preparation. The absorption spectra show a red shift of the longitudinal plasmon mode of the Au nanorods along with the emergence of broadened structures at wavelengths between 1000 and 1100 nm. These results, supported by TEM images, indicate the self-assembly of the Au nanorods forming on the sidewalls of the functionalized SWNTs driven by polyelectrolyte interactions.


2013 ◽  
Vol 8 (11) ◽  
pp. 873-880 ◽  
Author(s):  
Nicole M. Iverson ◽  
Paul W. Barone ◽  
Mia Shandell ◽  
Laura J. Trudel ◽  
Selda Sen ◽  
...  

2020 ◽  
Vol 10 (1) ◽  
Author(s):  
Lukasz Przypis ◽  
Maciej Krzywiecki ◽  
Yoshiaki Niidome ◽  
Haruka Aoki ◽  
Tomohiro Shiraki ◽  
...  

AbstractSingle-walled carbon nanotubes (SWCNTs) have been modified with ester groups using typical organic radical chemistry. Consequently, traps for mobile excitons have been created, which enhanced the optical properties of the material. The proposed methodology combines the benefits of mainstream approaches to create luminescent defects in SWCNTs while it simultaneously avoids their limitations. A step change was achieved when the aqueous medium was abandoned. The selection of an appropriate organic solvent enabled much more facile modification of SWCNTs. The presented technique is quick and versatile as it can engage numerous reactants to tune the light emission capabilities of SWCNTs. Importantly, it can also utilize SWCNTs sorted by chirality using conjugated polymers to enhance their light emission capabilities. Such differentiation is conducted in organic solvents, so monochiral SWCNT can be directly functionalized using the demonstrated concept in the same medium without the need to redisperse the material in water.


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