Carbon microspheres derived from walnut shell: Rapid and remarkable uptake of heavy metal ions, molecular computational study and surface modeling

Chemosphere ◽  
2019 ◽  
Vol 231 ◽  
pp. 140-150 ◽  
Author(s):  
Mohamed Zbair ◽  
Hassan Ait Ahsaine ◽  
Zakaria Anfar ◽  
Amine Slassi
Author(s):  
Thifany Justo Santos ◽  
Juliana Paggiaro ◽  
Helhe Daiany Cabral Silva Pimentel ◽  
Anna Karla dos Santos Pereira ◽  
Grasiele Soares Cavallini ◽  
...  

2016 ◽  
Vol 760 ◽  
pp. 143-150 ◽  
Author(s):  
Yu-Feng Sun ◽  
Li-Jie Zhao ◽  
Tian-Jia Jiang ◽  
Shan-Shan Li ◽  
Meng Yang ◽  
...  

RSC Advances ◽  
2019 ◽  
Vol 9 (6) ◽  
pp. 3337-3344 ◽  
Author(s):  
Jie Ma ◽  
Mengya Sun ◽  
Yulan Zeng ◽  
Zhenhua Liu ◽  
Manman Zhang ◽  
...  

Herein, Acac-C@Fe3O4, a magnetic carbon (C@Fe3O4) modified with acetylacetone (Acac), was first prepared and used as a solid-phase adsorbent for adsorbing some heavy metal ions from aqueous solution.


2018 ◽  
Vol 8 (1) ◽  
pp. 73-85
Author(s):  
Amalia Stefaniu ◽  
Maria-Daniela Pop ◽  
Georgiana-Luiza Arnold ◽  
Liviu Birzan ◽  
Lucia Pintilie ◽  
...  

A computational study on three related derivatives of 5-[(azulen-1-yl)methylene]-2-thioxoimidazolidin-4-one was conducted using density functional theory by calculating a series of molecular descriptors and properties of their optimized geometries (electrostatic and local ionization potentials, molecular frontier orbitals, etc.). Thermodynamic properties (zero-point energy, enthalpy, constant volume heat capacity, entropy and Gibbs energy) for these derivatives have been calculated and related to ligands electrochemical behavior. Reduction and oxidation potentials have been correlated to their calculated energy levels for LUMO and HOMO orbitals. Chemically modified electrodes based on these derivatives have been tested in view of heavy metal ions recognition, and their detection limits have been correlated to the calculated values of electron affinity.


2021 ◽  
Vol 17 ◽  
Author(s):  
Sukriye Nihan Karuk Elmas ◽  
Duygu Aydin ◽  
Tahir Savran ◽  
Eray Caliskan ◽  
Kenan Koran ◽  
...  

Background: The traditional methods for the detection and quantification of Cu2+ and Fe3+ heavy metal ions, are usually troublesome in terms of high–cost, non–portable, time–consuming, specialized personnel and complicated tools, so their applications in practical analyses is limited. Therefore, the development of cheap, fast and simple–use techniques/instruments with high sensitivity/selectivity for the detection of heavy metal ions are highly demanded and studied. Methods: In this study, a fluorene–based fluorescent ''turn–off'' sensor, methyl 2–(2–((((9H–fluoren–9–yl)methoxy)carbonyl)amino)–3– phenylpropanamido) acetate (probe FLPG) was synthesized via one–pot reaction and characterized by 1H–NMR, 13C–APT–NMR, HETCOR, ATR–FTIR and elemental analysis in detailed. All emission spectral studies of the probe FLPG have been performed in CH3CN/HEPES (9/1, v/v, pH=7.4) media at rt. The quantum (Φ) yield of probe FLPG decreased considerably in the presence of Cu2+ and Fe3+. The theoretical computation of probe FLPG and its complexes were also performed using density functional theory (DFT). Furthermore, bio–imaging experiments of the probe FLPG was successfully carried out for Cu2+ and Fe3+ monitoring in living–cells. Results: The probe FLPG could sense Cu2+ and Fe3+ with high selectivity and sensitivity, and quantitative correlations (R2>0.9000) between the Cu2+/Fe3+ concentrations (0.0−10.0 equiv). The limits of detection for Cu2+ and Fe3+ were found as 25.07 nM and 37.80 nM, respectively. The fluorescence quenching in the sensor is managed by ligand–to–metal charge transfer (LMCT) mechanism. Job’s plot was used to determine the binding stoichiometry (1:2) of the probe FLPG towards Cu2+ and Fe3+. The binding constants with strongly interacting Cu2+ and Fe3+ were determined as 4.56×108 M-2 and 2.02×1010 M-2, respectively, via the fluorescence titration experiments. The outcomes of computational study supported the fluorescence data. Morover, the practical application of the probe FLPG was successfully performed for living–cells. Conclusion: This simple chemosensor system offers a highly selective and sensitive sensing platform for the routine detection of Cu2+ and Fe3+, and it keeps away from the usage of costly and sophisticated analysis systems.


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