Computational study of the complexation of metals ions with poly(amidoamine) PAMAM G0 dendrimers

Camarada, María Belén; Zúñiga, María del Carmén; Alzate‐Morales, Jans; Santos, Leonardo S.

doi:10.1016/j.cplett.2014.10.022

Cited by 16 publications

(10 citation statements)

References 45 publications

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“…This endows these macromolecules with the ability to serve as high capacity and selective macroligands that can form both coordination and inclusion complexes with metal ions such Cu(II) − ,− To gain insight into the mechanisms of Cu(II) binding to our new PVDF–PAMAM membrane absorbers, a sample of Cu(II) saturated MDP-G0 membrane was characterized by FESEM, FT Raman spectroscopy and XPS. The FESEM micrographs (Figure ) show that no solid copper precipitates were formed at the surface and inside the matrix of the Cu(II) laden MDP-G0 membrane.…”

Section: Resultsmentioning

confidence: 99%

Mixed Matrix PVDF Membranes With in Situ Synthesized PAMAM Dendrimer-Like Particles: A New Class of Sorbents for Cu(II) Recovery from Aqueous Solutions by Ultrafiltration

Kotte

Kuvarega

Cho

et al. 2015

Environ. Sci. Technol.

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Advances in industrial ecology, desalination, and resource recovery have established that industrial wastewater, seawater, and brines are important and largely untapped sources of critical metals and elements. A Grand Challenge in metal recovery from industrial wastewater is to design and synthesize high capacity, recyclable and robust chelating ligands with tunable metal ion selectivity that can be efficiently processed into low-energy separation materials and modules. In our efforts to develop high capacity chelating membranes for metal recovery from impaired water, we report a one-pot method for the preparation of a new family of mixed matrix polyvinylidene fluoride (PVDF) membranes with in situ synthesized poly(amidoamine) [PAMAM] particles. The key feature of our new membrane preparation method is the in situ synthesis of PAMAM dendrimer-like particles in the dope solutions prior to membrane casting using low-generation dendrimers (G0 and G1-NH2) with terminal primary amine groups as precursors and epichlorohydrin (ECH) as cross-linker. By using a combined thermally induced phase separation (TIPS) and nonsolvent induced phase separation (NIPS) casting process, we successfully prepared a new family of asymmetric PVDF ultrafiltration membranes with (i) neutral and hydrophilic surface layers of average pore diameters of 22–45 nm, (ii) high loadings (∼48 wt %) of dendrimer-like PAMAM particles with average diameters of ∼1.3–2.4 μm, and (iii) matrices with sponge-like microstructures characteristics of membranes with strong mechanical integrity. Preliminary experiments show that these new mixed matrix PVDF membranes can serve as high capacity sorbents for Cu(II) recovery from aqueous solutions by ultrafiltration.

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Section: Resultsmentioning

confidence: 99%

Mixed Matrix PVDF Membranes With in Situ Synthesized PAMAM Dendrimer-Like Particles: A New Class of Sorbents for Cu(II) Recovery from Aqueous Solutions by Ultrafiltration

Kotte

Kuvarega

Cho

et al. 2015

Environ. Sci. Technol.

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“…32 Studies have shown that ion adsorption is affected by pH and ion solvation. 33,34 Our assumptions on keeping these factors constant are based on inducing adsorption through electrostatics. The relative masses in the system are coarse-grained, and this method of coarse-graining results in a uniform bead diameter of s = 0.47 nm, for all bead types.…”

Section: Methodsmentioning

confidence: 99%

Design of PAMAM-COO dendron-grafted surfaces to promote Pb(ii) ion adsorption

Chong

Dutt

2015

Phys. Chem. Chem. Phys.

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An expanding area of green technology is the wastewater treatment of heavy metal ions. As the adsorption of cations onto solid surfaces has been proven to be successful, recent research has demonstrated enhanced adsorption profiles by grafting dendron brushes onto a solid support. Via the molecular dynamics technique, we examine the adsorption of Pb(II) ions onto polyamidoamine (PAMAM) with carboxylate terminal groups through a coarse-grained implicit solvent model. We identify dendron generations and grafting densities, or surface coverage levels, which demonstrate optimal adsorption of Pb(II) ions. Our results can be potentially used to design functionalized surfaces for metal ion adsorption in application entailing environmental remediation or protective surface coating.

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“…Two molecular models of PAMAM G4 functionalized with 64 Arginines and 64 Lysines as terminal groups were built using home-made scripts. According to previous articles, only terminal groups of PAMAM remain protonated at neutral pH[ 20 – 22 ], so both dendrimers carry the same number of charges due to the terminal amino acids. Dendrimer models were later parameterized and adjusted to the CHARMM General force field (CGenff)[ 23 ], using the PARAMCHEM platform[ 24 ].…”

Section: Methodsmentioning

confidence: 99%

Biomimetics: From Bioinformatics to Rational Design of Dendrimers as Gene Carriers

et al. 2015

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Biomimetics, or the use of principles of Nature for developing new materials, is a paradigm that could help Nanomedicine tremendously. One of the current challenges in Nanomedicine is the rational design of new efficient and safer gene carriers. Poly(amidoamine) (PAMAM) dendrimers are a well-known class of nanoparticles, extensively used as non-viral nucleic acid carriers, due to their positively charged end-groups. Yet, there are still several aspects that can be improved for their successful application in in vitro and in vivo systems, including their affinity for nucleic acids as well as lowering their cytotoxicity. In the search of new functional groups that could be used as new dendrimer-reactive groups, we followed a biomimetic approach to determine the amino acids with highest prevalence in protein-DNA interactions. Then we introduced them individually as terminal groups of dendrimers, generating a new class of nanoparticles. Molecular dynamics studies of two systems: PAMAM-Arg and PAMAM-Lys were also performed in order to describe the formation of complexes with DNA. Results confirmed that the introduction of amino acids as terminal groups in a dendrimer increases their affinity for DNA and the interactions in the complexes were characterized at atomic level. We end up by briefly discussing additional modifications that can be made to PAMAM dendrimers to turned them into promising new gene carriers.

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Computational study of the complexation of metals ions with poly(amidoamine) PAMAM G0 dendrimers

Cited by 16 publications

References 45 publications

Mixed Matrix PVDF Membranes With in Situ Synthesized PAMAM Dendrimer-Like Particles: A New Class of Sorbents for Cu(II) Recovery from Aqueous Solutions by Ultrafiltration

Mixed Matrix PVDF Membranes With in Situ Synthesized PAMAM Dendrimer-Like Particles: A New Class of Sorbents for Cu(II) Recovery from Aqueous Solutions by Ultrafiltration

Design of PAMAM-COO dendron-grafted surfaces to promote Pb(ii) ion adsorption

Biomimetics: From Bioinformatics to Rational Design of Dendrimers as Gene Carriers

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