Molecular dynamic simulation and artificial intelligence of lead ions removal from aqueous solution using magnetic-ash-graphene oxide nanocomposite

Journal of Molecular Liquids ◽

10.1016/j.molliq.2021.118290 ◽

2021 ◽

pp. 118290

Author(s):

Kunrong Zeng ◽

Kadda Hachem ◽

Mariya Kuznetsova ◽

Supat Chupradit ◽

Chia-Hung Su ◽

...

Keyword(s):

Artificial Intelligence ◽

Aqueous Solution ◽

Graphene Oxide ◽

Molecular Dynamic Simulation ◽

Molecular Dynamic ◽

Dynamic Simulation ◽

Lead Ions

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Molecular dynamic simulation: Structural insights of multi-stranded curdlan in aqueous solution

Carbohydrate Polymers ◽

10.1016/j.carbpol.2021.117844 ◽

2021 ◽

Vol 261 ◽

pp. 117844

Author(s):

Xuan Feng ◽

Fan Li ◽

Mingming Ding ◽

Ran Zhang ◽

Tongfei Shi ◽

...

Keyword(s):

Aqueous Solution ◽

Molecular Dynamic Simulation ◽

Molecular Dynamic ◽

Dynamic Simulation ◽

Structural Insights

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Molecular dynamic simulation of core–shell structure: study of the interaction between modified surface of nano-SiO2 and PAMAA in vacuum and aqueous solution

Composite Interfaces ◽

10.1080/09276440.2017.1302398 ◽

2017 ◽

Vol 24 (9) ◽

pp. 897-914 ◽

Cited By ~ 7

Author(s):

Shanshan Dai ◽

Yan Liu ◽

Jinghan Zhang ◽

Tailiang Zhang ◽

Zhiyu Huang ◽

...

Keyword(s):

Aqueous Solution ◽

Molecular Dynamic Simulation ◽

Molecular Dynamic ◽

Dynamic Simulation ◽

Shell Structure ◽

Structure Study ◽

Core Shell ◽

Nano Sio2 ◽

Modified Surface ◽

Core Shell Structure

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The molecular dynamic simulation of dimethyl sulfoxide aqueous solution under the electric magnetic field

Journal of Molecular Liquids ◽

10.1016/j.molliq.2016.11.005 ◽

2017 ◽

Vol 225 ◽

pp. 788-792 ◽

Cited By ~ 3

Author(s):

Fenghai Liu ◽

Feng Wang ◽

Guozhu Jia

Keyword(s):

Magnetic Field ◽

Aqueous Solution ◽

Molecular Dynamic Simulation ◽

Dimethyl Sulfoxide ◽

Molecular Dynamic ◽

Dynamic Simulation

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Permeability of Vesicles for Imidazolium-Based Ionic Liquids in Aqueous Solution: A Molecular Dynamic Simulation Study

Industrial & Engineering Chemistry Research ◽

10.1021/acs.iecr.0c06014 ◽

2021 ◽

Vol 60 (7) ◽

pp. 3174-3183

Author(s):

Kun Jiang ◽

Guohui Zhou ◽

Timing Fang ◽

Xiaomin Liu

Keyword(s):

Aqueous Solution ◽

Ionic Liquids ◽

Molecular Dynamic Simulation ◽

Molecular Dynamic ◽

Dynamic Simulation ◽

Simulation Study ◽

Molecular Dynamic Simulation Study

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Molecular dynamic simulation of quadrupole relaxation of atomic ions in aqueous solution

The Journal of Chemical Physics ◽

10.1063/1.446658 ◽

1984 ◽

Vol 80 (11) ◽

pp. 5481-5486 ◽

Cited By ~ 65

Author(s):

Sven Engström ◽

Bo Jönsson ◽

Roger W. Impey

Keyword(s):

Aqueous Solution ◽

Molecular Dynamic Simulation ◽

Molecular Dynamic ◽

Dynamic Simulation ◽

Quadrupole Relaxation ◽

Atomic Ions

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Separation of 2,4,6-trinitrophenol from aqueous solution by liquid–liquid extraction method: Equilibrium, kinetics, thermodynamics and molecular dynamic simulation

Chemical Engineering Journal ◽

10.1016/j.cej.2016.04.080 ◽

2016 ◽

Vol 299 ◽

pp. 342-352 ◽

Cited By ~ 18

Author(s):

Hasan Uslu ◽

Dipaloy Datta ◽

Dheiver Santos ◽

Hisham S. Bamufleh ◽

Cuma Bayat

Keyword(s):

Aqueous Solution ◽

Molecular Dynamic Simulation ◽

Molecular Dynamic ◽

Dynamic Simulation ◽

Extraction Method ◽

Liquid Extraction ◽

Liquid Liquid Extraction

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Molecular dynamic simulation: Conformational properties of single-stranded curdlan in aqueous solution

Carbohydrate Polymers ◽

10.1016/j.carbpol.2020.116906 ◽

2020 ◽

Vol 250 ◽

pp. 116906

Author(s):

Xuan Feng ◽

Fan Li ◽

Mingming Ding ◽

Ran Zhang ◽

Tongfei Shi

Keyword(s):

Aqueous Solution ◽

Molecular Dynamic Simulation ◽

Molecular Dynamic ◽

Dynamic Simulation ◽

Conformational Properties

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Rheological behaviour of shear thickening fluid of graphene oxide and SiO2 polyethylene glycol 400-based fluid with molecular dynamic simulation

Molecular Simulation ◽

10.1080/08927022.2021.1872786 ◽

2021 ◽

pp. 1-9

Author(s):

Mehdi Zojaji ◽

Amir Hydarinasab ◽

Seyed Hasan Hashemabadi ◽

Milad Mehranpour

Keyword(s):

Graphene Oxide ◽

Polyethylene Glycol ◽

Molecular Dynamic Simulation ◽

Molecular Dynamic ◽

Dynamic Simulation ◽

Shear Thickening ◽

Rheological Behaviour ◽

Polyethylene Glycol 400 ◽

Shear Thickening Fluid

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Molecular Dynamic Simulation and Spectroscopic Investigation of Some Cytotoxic Palladium(II) Complexes Interaction with Human Serum Albumin

Combinatorial Chemistry & High Throughput Screening ◽

10.2174/1386207317666140926124647 ◽

2014 ◽

Vol 17 (9) ◽

pp. 781-789 ◽

Cited By ~ 4

Author(s):

Mahboube Eslami Moghadam ◽

Maryam Saidifar ◽

Faramarz Rostami-Charati ◽

Davoud Ajloo ◽

Maryam Ghadamgahi

Keyword(s):

Human Serum Albumin ◽

Serum Albumin ◽

Human Serum ◽

Molecular Dynamic Simulation ◽

Molecular Dynamic ◽

Dynamic Simulation ◽

Spectroscopic Investigation

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Modeling and Proposed Molecular Mechanism of Hydroxyurea Through Docking and Molecular Dynamic Simulation to Curtail the Action of Ribonucleotide Reductase

Recent Patents on Anti-Cancer Drug Discovery ◽

10.2174/1574892811666160926143534 ◽

2016 ◽

Vol 11 (4) ◽

pp. 461-468 ◽

Cited By ~ 3

Author(s):

Maryam Iman ◽

Zeynab Khansefid ◽

Asghar Davood

Keyword(s):

Molecular Dynamic Simulation ◽

Molecular Dynamic ◽

Molecular Mechanism ◽

Dynamic Simulation ◽

Ribonucleotide Reductase

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