Neosaxitoxin time-resolved absorption and resonance ft-ir and raman biospectroscopy and density functional theory (dft) investigation of vibronic-mode coupling structure in vibrational spectra analysis
Alireza Heidari,Jennifer Esposito,Angela Caissutti +2 more
- 01 Jan 2019
- Vol. 2, Iss: 3
About: The article was published on 01 Jan 2019. and is currently open access. The article focuses on the topics: Raman spectroscopy & Density functional theory.
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Citations
Botulinum Toxin Time-Resolved Absorption and Resonance FT-IR and Raman Biospectroscopy and Density Functional Theory (DFT) Investigation of Vibronic-Mode Coupling Structure in Vibrational Spectra Analysis
Alireza Heidari,Jennifer Esposito,Angela Caissutti +2 more
- 25 Jun 2019
TL;DR: In this article, the vibrational spectrum of a single crystal Botulinum Toxin was calculated using density functional theory and compared with the empirical results, and the obtained values confirm high accuracy and validity of results obtained from calculations.
Perspectives On Sub–nanometer Level of Electronic Structure of the Synchrotron With Mendelevium Nanoparticles For Elimination of Human Cancer Cells, Tissues and Tumors Treatment Using Mathematica 12.0
Alireza Heidari,Katrina Schmitt,Maria Henderson,Elizabeth Besana +3 more
- 06 Nov 2019
TL;DR: Alireza Heidari et al. as mentioned in this paper investigated the thermoplasmonic properties of Mendelevium nanoparticles with spherical, core-shell and rod shapes and showed that the resulting heat can be transferred to the surrounding environment and leads to an increase in temperature of adjacent points.
Ciguatoxin time–resolved absorption and resonance FT–IR and raman biospectroscopy and density functional theory (DFT) investigation of vibronic–mode coupling structure in vibrational spectra Analysis
Alireza Heidari,Jennifer Esposito,Angela Caissutti +2 more
- 01 Jan 2020
TL;DR: In this paper, a class of toxic polycyclic polyethers found in fish that cause ciguatera was investigated using density functional theory (DFT) for computing the vibrational wavenumbers, molecular structure as well as total energy.
Cholera toxin time–resolved absorption and resonance FT–IR and raman biospectroscopy and density functional theory (DFT) investigation of vibronic–mode coupling structure in vibrational spectra analysis
Alireza Heidari,Jennifer Esposito,Angela Caissutti +2 more
- 01 Jan 2020
TL;DR: In this article, the 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.
•Journal Article
Saxitoxin time–resolved absorption and resonance FT–IR and Raman biospectroscopy and density functional theory investigation of vibronic–mode coupling structure in vibrational spectra analysis
TL;DR: In this paper, a vibrational spectrum analysis of Saxitoxin (STX) is performed based on theoretical simulation and FT-IR empirical spectrum and Raman empirical spectrum using density functional theory.
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TL;DR: The susceptibility of DNA of cancer cells to inactivation by a novel treatment, which involves applying appropriate UV irradiation at presence of Cadmium Oxide nanoparticles on DNA ofcancer cells, as a promising method for medical, clinical, biological, pharmaceutical, biochemical and photodynamic applications were analyzed.
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TL;DR: The aim of this editorial is to research for an efficient method to build an accurate quantitative relationship between the chemical and molecular structure and the Retention Times (RT) of the some medicinal and pharmaceutical nano compounds by stepwise Multiple Linear Regression (MLR), Multiple Non–Linearregression (MNLR) and Artificial Neural Networks (ANN) methods under synchrotron radiations.
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