Quantum mechanical study on physisorption of dissolved metal ions in seawater using cellulose, chitosan and chitin.

International Journal of Biological Macromolecules
Manichandrika K V S, Prathyusha V

Abstract

Density Functional Theory (DFT) calculations were performed to investigate the adsorption of alkali and alkaline earth metal ions, Na+, K+, Mg2+, and Ca2+ present in seawater by biopolymers, cellulose, chitosan, and chitin. Analysis of the optimized geometries of the complexes formed by physisorption of metal ions on biopolymers reveals that monomer of chitin is the best biopolymer for adsorption of Mg2+ ion. Water as a solvent reduces the reactivity of complexes formed, playing a significant role in complex stability, which further proved the effective use of cellulose, chitosan and chitin for real-time applications. Natural Bond Orbital (NBO) analysis and quantum reactivity descriptors of the optimized geometries indicate that the electronic charge transfer between the biopolymer and metal ions acts as a driving force for the complex formation. This study also highlights the significant role of water in physisorption of metal ions on biopolymer.

References

Jul 17, 2007·Biomacromolecules·Paweł WydroKatarzyna Hac-Wydro
Apr 18, 2009·Water Research·Lauren F GreenleePhilippe Moulin
Jan 1, 2011·Profiles of Drug Substances, Excipients, and Related Methodology·Nidal H DaraghmehAdnan A Badwan
Jan 15, 2015·International Journal of Biological Macromolecules·Basila HassanV M Abdul Mujeeb
Jan 15, 2015·Marine Drugs·George Z Kyzas, Dimitrios N Bikiaris
Apr 6, 2016·International Journal of Biological Macromolecules·Junhua WangXiao Chen
Mar 27, 2018·Journal of Environmental Management·Mohammad Amin Alaei ShahmirzadiInmaculada Ortiz
Sep 3, 2018·International Journal of Biological Macromolecules·Hakima El KnidriAhmed Lahsini
Mar 17, 2020·ACS Applied Materials & Interfaces·Sang Joon LeeSung Ho Park
Aug 24, 2020·The Science of the Total Environment·Qinglong LuoXueli Huang

❮ Previous
Next ❯

Related Concepts

Trending Feeds

COVID-19

Coronaviruses encompass a large family of viruses that cause the common cold as well as more serious diseases, such as the ongoing outbreak of coronavirus disease 2019 (COVID-19; formally known as 2019-nCoV). Coronaviruses can spread from animals to humans; symptoms include fever, cough, shortness of breath, and breathing difficulties; in more severe cases, infection can lead to death. This feed covers recent research on COVID-19.

Blastomycosis

Blastomycosis fungal infections spread through inhaling Blastomyces dermatitidis spores. Discover the latest research on blastomycosis fungal infections here.

Nuclear Pore Complex in ALS/FTD

Alterations in nucleocytoplasmic transport, controlled by the nuclear pore complex, may be involved in the pathomechanism underlying multiple neurodegenerative diseases including Amyotrophic Lateral Sclerosis and Frontotemporal Dementia. Here is the latest research on the nuclear pore complex in ALS and FTD.

Applications of Molecular Barcoding

The concept of molecular barcoding is that each original DNA or RNA molecule is attached to a unique sequence barcode. Sequence reads having different barcodes represent different original molecules, while sequence reads having the same barcode are results of PCR duplication from one original molecule. Discover the latest research on molecular barcoding here.

Chronic Fatigue Syndrome

Chronic fatigue syndrome is a disease characterized by unexplained disabling fatigue; the pathology of which is incompletely understood. Discover the latest research on chronic fatigue syndrome here.

Evolution of Pluripotency

Pluripotency refers to the ability of a cell to develop into three primary germ cell layers of the embryo. This feed focuses on the mechanisms that underlie the evolution of pluripotency. Here is the latest research.

Position Effect Variegation

Position Effect Variagation occurs when a gene is inactivated due to its positioning near heterochromatic regions within a chromosome. Discover the latest research on Position Effect Variagation here.

STING Receptor Agonists

Stimulator of IFN genes (STING) are a group of transmembrane proteins that are involved in the induction of type I interferon that is important in the innate immune response. The stimulation of STING has been an active area of research in the treatment of cancer and infectious diseases. Here is the latest research on STING receptor agonists.

Microbicide

Microbicides are products that can be applied to vaginal or rectal mucosal surfaces with the goal of preventing, or at least significantly reducing, the transmission of sexually transmitted infections. Here is the latest research on microbicides.