A new fluorescent and colorimetric sensor for hydrazine and its application in biological systems

2014 ◽  
Vol 2 (13) ◽  
pp. 1846-1851 ◽  
Author(s):  
Mingda Sun ◽  
Jing Guo ◽  
Qingbiao Yang ◽  
Ning Xiao ◽  
Yaoxian Li
Keyword(s):  
Dft Calculations ◽  
Fluorescent Sensor ◽  
Biological Systems ◽  
Colorimetric Sensor ◽  
Live Cells ◽  
Sensing Mechanism ◽  
Live Fish ◽  
Td Dft

A highly selective and sensitive fluorescent sensor for the detection of hydrazine has been developed. It can trace hydrazine changes in live cells and live fish. The sensing mechanism is well rationalized with the aid of TD-DFT calculations.

DFT/TD-DFT calculations on the sensing mechanism of a dual response near-infrared fluorescent chemosensor for superoxide anion and hydrogen polysulfides: photoinduced electron transfer

RSC Advances ◽  
2016 ◽  
Vol 6 (106) ◽  
pp. 104735-104741 ◽  
Author(s):  
Xiao-Fei Sun ◽  
Zhi-Xiang Zhang ◽  
Wei Li ◽  
Fu-Quan Bai ◽  
Jian Wang ◽  
...  
Keyword(s):  
Electron Transfer ◽  
Fluorescence Quenching ◽  
Dft Calculations ◽  
Photoinduced Electron Transfer ◽  
Superoxide Anion ◽  
Near Infrared ◽  
Fluorescent Chemosensor ◽  
Sensing Mechanism ◽  
Dual Response ◽  
Td Dft

Fluorescence quenching by the PET process in HCy-FN.

scholarly journals Theoretical investigations on the structure–property relationships of Au13and AuxM13−xnanoclusters

RSC Advances ◽  
2017 ◽  
Vol 7 (81) ◽  
pp. 51538-51545 ◽  
Author(s):  
Ying Lv ◽  
Xi Kang ◽  
Sha Yang ◽  
Tao Chen ◽  
Ao Liu ◽  
...  
Keyword(s):  
Dft Calculations ◽  
Structure Property ◽  
Structure Property Relationships ◽  
Theoretical Investigations ◽  
Td Dft

The effect of ligands and dopants on AuxM13−xNCs was studied by DFT and TD-DFT calculations.

Exploring of Indole Derivatives for ESIPT Emission: A New ESIPT-based Fluorescence Skeleton and TD-DFT Calculations

2021 ◽  
pp. 113487
Author(s):  
Serdal Kaya ◽  
Hatice Gülten Aydın ◽  
Selbi Keskin ◽  
Zeynep Ekmekci ◽  
Nurettin Menges
Keyword(s):  
Dft Calculations ◽  
Indole Derivatives ◽  
Td Dft

A cyanine-based fluorescent sensor for detecting endogenous zinc ions in live cells and organisms

Biomaterials ◽  
2012 ◽  
Vol 33 (31) ◽  
pp. 7818-7827 ◽  
Author(s):  
Zhiqian Guo ◽  
Gun-Hee Kim ◽  
Injae Shin ◽  
Juyoung Yoon
Keyword(s):  
Fluorescent Sensor ◽  
Live Cells ◽  
Zinc Ions

Iron Chelation by thiocytosine: Investigating electronic and structural features for describing tautomerism and metal chelation processes

2021 ◽  
pp. 1-8
Author(s):  
Azadeh Jafari Rad ◽  
Maryam Abbasi ◽  
Bahareh Zohrevand
Keyword(s):  
Density Functional Theory ◽  
Dft Calculations ◽  
Molecular Orbital ◽  
Density Functional ◽  
Biological Systems ◽  
Iron Chelation ◽  
Structural Features ◽  
Metal Chelation ◽  
Functional Theory

This work was performed regarding the importance of iron (Fe) chelation for biological systems. This goal was investigated by assistance of a model of thiocytosine (TC) for participating in Fe-chelation processes. First, formations of tautomeric conformations were investigated to explore existence of possible structures of TC. Next, Fe-chelation processes were examined for all four obtained tautomers of TC. The results indicated that thiol tautomers could be seen at higher stability than thio tautomers, in which one of such thiol tautomers yielded the strongest Fe-chelation process to build FeTC3 model. As a consequence, parallel to the results of original TC tautomers, Fe-chelated models were found to be achievable for meaningful chelation processes or sensing the existence of Fe in media. Examining molecular orbital features could help for sensing purposes. The results of this work were obtained by performing density functional theory (DFT) calculations proposing TC compounds suitable for Fe-chelation purposes.

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