scholarly journals A macrocyclic tetranuclear ZnII complex as a receptor for selective dual fluorescence sensing of F− and AcO−: effect of a macrocyclic ligand

2019 ◽  
Vol 43 (33) ◽  
pp. 13152-13161 ◽  
Author(s):  
Tonmoy Chakraborty ◽  
Sanchari Dasgupta ◽  
Arghyadeep Bhattacharyya ◽  
Ennio Zangrando ◽  
Daniel Escudero ◽  
...  
Keyword(s):  
Theoretical Study ◽  
Logic Gate ◽  
Macrocyclic Ligand ◽  
Fluorimetric Detection ◽  
Dual Fluorescence ◽  
Aqueous Methanol ◽  
Fluorescence Sensing ◽  
Methanol Medium

Fluorimetric detection of F−/AcO− with an additional ‘INHIBIT’ logic gate response for F−/H+ and AcO−/H+ in an aqueous-methanol medium by a 48-membered macrocyclic ZnII-complex DAS has been explored by combined experimental and theoretical study.

Influence of solvent polarity on the dual fluorescence of p-N,N-dimethylaminobenzonitrile: An AM1 theoretical study

1990 ◽  
Vol 55 (8) ◽  
pp. 1891-1895 ◽  
Author(s):  
Peter Ertl
Keyword(s):  
Excited State ◽  
Theoretical Study ◽  
Solvent Polarity ◽  
Semiempirical Method ◽  
Dual Fluorescence ◽  
Long Wavelength ◽  
Polar Media ◽  
Wavelength Emission ◽  
Ground State Geometry ◽  
Influence Of Solvent

Twisting of the NMe2 group in p-N,N-dimethylaminobenzonitrile (DMABN) was investigated using AM1 semiempirical method with configuration interaction. Effect of polar media was considered by placing + and - charge centers ("sparkles") at appropriate places opposite the molecule. Optimized ground state geometry of DMABN is slightly twisted with the lowest vertical excited state of 1B character. As the polarity of media increases and/or the - NMe2 group twists, the symmetric 1A excited state having considerable charge separation becomes energetically favorable. Anomalous long-wavelength emission of DMABN comes from this state.

Redox-induced target-dependent ratiometric fluorescence sensing strategy and logic gate operation for detection of α-glucosidase activity and its inhibitor

2021 ◽  
Author(s):  
Xucan Yuan ◽  
Yi Sun ◽  
Pengfei Zhao ◽  
Longshan Zhao ◽  
Zhili Xiong
Keyword(s):  
Redox Reaction ◽  
Logic Gate ◽  
Sensitive Detection ◽  
Ratiometric Fluorescence ◽  
Fluorescence Sensing ◽  
Gate Operation ◽  
Glucosidase Activity ◽  
Highly Sensitive ◽  
Highly Sensitive Detection ◽  
Ratiometric Fluorescence Sensing

A target-dependent ratiometric fluorescence sensing strategy was designed and fabricated based on redox reaction for highly sensitive detection of α-glucosidase (α-Glu) activity and its inhibitor. In this study, silicon quantum...

scholarly journals Ingenious modification of molecular structure effectively regulates excited-state intramolecular proton and charge transfer: a theoretical study based on 3-hydroxyflavone

RSC Advances ◽  
2018 ◽  
Vol 8 (52) ◽  
pp. 29589-29597 ◽  
Author(s):  
Jianhui Han ◽  
Xiaochun Liu ◽  
Chaofan Sun ◽  
You Li ◽  
Hang Yin ◽  
...  
Keyword(s):  
Molecular Structure ◽  
Excited State ◽  
Charge Transfer ◽  
Proton Transfer ◽  
Theoretical Study ◽  
Intramolecular Charge Transfer ◽  
Intramolecular Proton Transfer ◽  
Great Promise ◽  
Fluorescence Sensing

Harnessing ingenious modification of molecular structure to regulate excited-state intramolecular proton transfer (ESIPT) and intramolecular charge transfer (ICT) characteristics holds great promise in fluorescence sensing and imaging.

Experimental and Theoretical Study of the First Vanadocene(IV) Complexes of α-Amino Acids Prepared from Vanadocene Dichloride

2004 ◽  
Vol 69 (4) ◽  
pp. 811-821 ◽  
Author(s):  
Jaromír Vinklárek ◽  
Hana Paláčková ◽  
Jan Honzíček
Keyword(s):  
Amino Acids ◽  
Density Functional Theory ◽  
Density Functional ◽  
Theoretical Study ◽  
Model Systems ◽  
Amino Groups ◽  
Aqueous Methanol ◽  
Functional Theory ◽  
Elemental Analyses ◽  
Vanadocene Dichloride

The first bioinorganic vanadocene(IV) complexes of α-amino acids ([Cp2V(aa)]Cl, Cp = η5-C5H5, aa = glycine, L-alanine, L-valine) were prepared by reaction of vanadocene dichloride ([Cp2VCl2]) and α-amino acids in aqueous methanol. Analogous cationic complexes with PF6- counterions were obtained by metathetical reactions of the chloride precursors with KPF6. These compounds are of great interest as model systems for the vanadocene moiety binding to proteins. All complexes have been characterized by elemental analyses and IR, Raman and EPR spectroscopies. On the basis of EPR spectra, a chelate in all the studied complexes was proposed, formed by the carboxylato and amino groups. This structure has also been confirmed by density functional theory (DFT) calculations.

Logic gate-based Rhodamine-methionine conjugate highly sensitive fluorescent probe for Hg 2+ ion and its application: An experimental and theoretical study

2018 ◽  
Vol 263 ◽  
pp. 298-311 ◽  
Author(s):  
Anindita Sikdar ◽  
Swapnadip Roy ◽  
Subrata Dasgupta ◽  
Soumita Mukherjee ◽  
Sujit S. Panja
Keyword(s):  
Fluorescent Probe ◽  
Theoretical Study ◽  
Logic Gate ◽  
Highly Sensitive
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