Ab Initio and Density Functional Theory (DFT) Studies of Dynamic NMR Shielding Tensors and Vibrational Frequencies of DNA/RNA and Cadmium Oxide (CdO) Nanoparticles Complexes in Human Cancer Cells

2016 ◽  
Vol 06 (01) ◽  
Author(s):  
Heidari A
Keyword(s):  
Density Functional Theory ◽  
Cancer Cells ◽  
Density Functional ◽  
Human Cancer ◽  
Cadmium Oxide ◽  
Dynamic Nmr ◽  
Dft Studies ◽  
Functional Theory ◽  
Human Cancer Cells ◽  
Cdo Nanoparticles

scholarly journals The effect of temperature on cadmium oxide (CdO) nanoparticles produced by synchrotron radiation in the human cancer cells, tissues and tumors

2018 ◽  
Vol 6 (2) ◽  
pp. 140 ◽  
Author(s):  
Alireza Heidari
Keyword(s):  
Synchrotron Radiation ◽  
Cancer Cells ◽  
Human Cancer ◽  
Cadmium Oxide ◽  
Radiation Pulse ◽  
Effect Of Temperature ◽  
Radiation Emission ◽  
Human Cancer Cells ◽  
Cdo Nanoparticles ◽  
532 Nm

In this work, the effect of temperature of the ablation environment on the properties of Cadmium Oxide (CdO) nanoparticles produced by synchrotron radiation is investigated. To produce nanoparticles, synchrotron radiation pulse with 1064 (nm) wavelength is used to emit Cadmium in the human cancer cells, tissues and tumors. All test parameters were kept constant and human cancer cells, tissues and tumors temperature was changed to produce samples at 20°C and 65°C. Then, ATR–FTIR, XRD, TEM and UV–Visible spectroscopy analyses were performed to investigate their properties. The results show that the size of nanoparticles is increased by increase in temperature of ablation environment. In addition, in the current experimental research, Gold (Au)–Cadmium Oxide (CdO) alloy is created at the size of nano. In this regard, same volume of Gold and Cadmium Oxide (CdO) solutions were mixed together and emitted by the synchrotron radiation pulse with wavelength of 532 (nm). The Gold and Cadmium Oxide (CdO) solutions have been produced, separately, using synchrotron radiation ablation process. To produce them, synchrotron radiation pulse with wavelength of 1064 (nm) and pulse width of 7 (ns) and repeating frequency of 5 (Hz) was used. The results show that synchrotron radiation emission with wavelength of 532 (nm) is an appropriate method for producing Gold compounds in the size of nano.  

Experimental and density functional theory (DFT) studies on the interactions of Ru(ii) polypyridyl complexes with the RAN triplex poly(U)˙poly(A)*poly(U)

Metallomics ◽  
2014 ◽  
Vol 6 (11) ◽  
pp. 2148-2156 ◽  
Author(s):  
Hong Zhang ◽  
Xuewen Liu ◽  
Xiaojun He ◽  
Ying Liu ◽  
Lifeng Tan
Keyword(s):  
Density Functional Theory ◽  
Density Functional ◽  
Dft Studies ◽  
Functional Theory ◽  
Polypyridyl Complexes

In this paper, the binding of two Ru(ii) complexes with poly(U)˙poly(A)*poly(U) was studied. Furthermore, the effect of factors on the binding difference is discussed.

Identifying the preferential pathways of CO2 capture and hydrogenation to methanol over Mn(I)-PNP catalyst: A computational study

2021 ◽  
Author(s):  
Shyama Charan Mandal ◽  
Biswarup Pathak
Keyword(s):  
Density Functional Theory ◽  
Co2 Capture ◽  
Density Functional ◽  
Computational Study ◽  
Co2 Hydrogenation ◽  
Dft Studies ◽  
Functional Theory ◽  
Preferential Pathways

CO2 hydrogenation to CH3OH is a crucial conversion for several purposes. Density functional theory (DFT) studies have been performed to explore the mechanistic pathways of newly reported CO2 capture and...

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