Computational Studies on Molecular Structures and Carbonyl and Ketene Groups’ Effects of Singlet and Triplet Energies of Azidoketene O=C=CH–NNN and Isocyanatoketene O=C=CH–N=C=O

Heidari, Afsane

doi:10.4172/2168-9679.1000e142

Cited by 42 publications

(28 citation statements)

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“…Plate and the container were cleaned before test by ultrasonic method in alcohol, acetone and water. Cadmium plate was ablated with 5000 pulses by synchrotron radiation pulse with repeating rate of 10 (Hz) and pulse width of [6] (ns). However, samples were produced at 20°C and 65°C.…”

Section: Test Arrangementmentioning

confidence: 99%

“…In the next stage, 30 (mm) of each Gold and Cadmium Oxide (CdO) solutions were mixed in a container and were subjected to 15000 pulses of synchrotron radiation with wavelength of 532 (nm) and pulse width of 7 (ns). In this stage, repeating frequency of synchrotron radiation pulse was 10 (Hz) and nanoparticles mixture was subjected to synchrotron radiation emission of [6] (mm) diameter with energy density of 2 Joules per (cm 2 ). To measure absorption spectrum of particles in the range of UV-Vis-NIR, a PG T80 spectroscope was used.…”

Section: Preparation Of Nanoparticles and Alloymentioning

confidence: 99%

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

Heidari

2018

IJAC

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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.

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Section: Test Arrangementmentioning

confidence: 99%

Section: Preparation Of Nanoparticles and Alloymentioning

confidence: 99%

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

Heidari

2018

IJAC

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“…Chemotherapists have been fascinated for a long time with phenomenon of anti-cancer drugs. This editorial generally associated with anti-cancer compounds, now extends equally well to medicinal and pharmaceutical chemistry [1][2][3][4][5][6][7][8][9][10][11][12][13][14][15][16][17][18][19]. Despite this continuing very frequent use in the scientific literature, anti-cancer drugs like many other and useful and popular chemical concepts is non-reductive and lacks an unambiguous basis.…”

Section: Editorialmentioning

confidence: 99%

A Chemotherapeutic and Biospectroscopic Investigation of the Interaction of Double–Standard DNA/RNA–Binding Molecules with Cadmium Oxide (CdO) and Rhodium (III) Oxide (Rh2O3) Nanoparticles as Anti–Cancer Drugs for Cancer Cells’ Treatment

Heidari¹

2016

Chemotherapy

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“…ATX activates voltage-gated sodium channels, which can cause cell depolarisation, NMDA-receptor over activity, excess calcium influx and neuronal necrosis. Density Functional Theory (DFT) is one of the most powerful calculation methods for electronic structures [5][6][7]. Numerous results have been previously studied and indicate successful use of these methods [8][9][10].…”

Section: Introductionmentioning

confidence: 99%

Antillatoxin (ATX) Time–Resolved Absorption and Resonance FT–IR and Raman Biospectroscopy and Density Functional Theory (DFT) Investigation of Vibronic–Mode Coupling Structure

Heidari¹

2019

AJOP

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Antillatoxin (ATX) is a potent lipopeptide neurotoxin produced by the marine cyanobacterium Lyngbya majuscula. ATX activates voltage-gated sodium channels, which can cause cell depolarisation, NMDA-receptor over activity, excess calcium influx and neuronal necrosis. Parameters such as FT-IR and Raman vibrational wavelengths and intensities for single crystal Antillatoxin are calculated using density functional theory and were compared with empirical results. The investigation about vibrational spectrum of cycle dimers in crystal with carboxyl groups from each molecule of acid was shown that it leads to create Hydrogen bonds for adjacent molecules. The current study aimed to investigate the possibility of simulating the empirical values. Analysis of vibrational spectrum of Antillatoxin is performed based on theoretical simulation and FT-IR empirical spectrum and Raman empirical spectrum using density functional theory in levels of HF/6-31G*, HF/6-31++G**, MP2/6-31G, MP2/6-31++G**, BLYP/6-31G, BLYP/6-31++G**, B3LYP/6-31G and B3LYP6-31-HEG**. Vibration modes of methylene, carboxyl acid and phenyl cycle are separately investigated. The obtained values confirm high accuracy and validity of results obtained from calculations.

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Computational Studies on Molecular Structures and Carbonyl and Ketene Groups’ Effects of Singlet and Triplet Energies of Azidoketene O=C=CH–NNN and Isocyanatoketene O=C=CH–N=C=O

Cited by 42 publications

References 0 publications

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

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

A Chemotherapeutic and Biospectroscopic Investigation of the Interaction of Double–Standard DNA/RNA–Binding Molecules with Cadmium Oxide (CdO) and Rhodium (III) Oxide (Rh2O3) Nanoparticles as Anti–Cancer Drugs for Cancer Cells’ Treatment

Antillatoxin (ATX) Time–Resolved Absorption and Resonance FT–IR and Raman Biospectroscopy and Density Functional Theory (DFT) Investigation of Vibronic–Mode Coupling Structure

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