Polydopamine and eumelanin models in various oxidation states

Chen, Chun-Teh; Buehler, Markus J.

doi:10.1039/c8cp05037f

Cited by 33 publications

(48 citation statements)

References 41 publications

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“…Proposed structures of PDA without satisfactory experimental confirmation or experimental and computational disproval. [20,15] Cyclic indole tetramers were found in eumelanins formed by oxidative polymerization of DHI. [15] Scheme 10) [21] and dopamine quinone [14] are formed in the initial steps (Scheme 10).…”

Section: Structure and Properties Of Pdamentioning

confidence: 99%

Chemistry of Polydopamine – Scope, Variation, and Limitation

2019

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Polydopamine (PDA) is a polymer easily obtained by oxidation of dopamine. It is composed of indole and dopamine units in various oxidation states and to a lesser extent of pyrroles. It adheres to all type of surfaces even under water due to its abundant catechol moieties assisted by amino groups. This property together with a widespread reactivity to nucleophiles and electrophiles allowing linkage of a variety of entities renders PDA extremely interesting for various applications in biology, biomedicine, membranes, catalysis, materials and water purification. The field of PDA is violently developing. The present review gives an overview about the chemistry and properties of PDA and its analogues with the focus on recent publications. Their widespread applications are occasionally touched. Analogues are obtained by two strategies: post‐modification of PDA and oxidative polymerization of dopamine analogues. Scope and limitations of these strategies are worked out giving impulses for future research in the field.

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Section: Structure and Properties Of Pdamentioning

confidence: 99%

Chemistry of Polydopamine – Scope, Variation, and Limitation

2019

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“…Based on ab initio [35]. This assumption of tetrameric dopamine based structures [36][37][38] as building blocks of PDA is however heavily debated [39] and additional experimental proofs are required.…”

Section: Polydopamine As a Eumelanin Analoguementioning

confidence: 99%

Polydopamine as a stable and functional nanomaterial

Yakhlifi

Ball

2020

Colloids and Surfaces B: Biointerfaces

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The mussel inspired chemistry of dopamine leading to versatile coatings on the surface of all kinds of materials in a one pot process was considered as the unique aspect of catecholamine for a long time. Only recently, research has been undertaken to valorize the simultaneous oxidation and colloid formation in dopamine solutions in the presence of an oxidant. This mini review summarizes the synthesis methods allowing to get controlled nanomaterials, either nanoparticles, hollow capsules or nanotubes and even chiral nanomaterials from dopamine solutions. Finally the applications of those nanomaterials will be described.

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“…For example, the chemical reactivity and stability of molecules can be estimated using density functional theory (DFT). [6,7] Molecular dynamics (MD) and the finite element method (FEM) can be applied to simulate a wide range of mechanical behaviors of materials at the nano-scale and continuum-scale, respectively. [8,9] Nowadays, simulations of material properties can be performed on a laptop, workstation, or computer cluster, depending on the computational cost.…”

Section: Introductionmentioning

confidence: 99%

“…[26] Chen et al proposed the most stable molecular structures for eumelanin and polydopamine by using high-throughput DFT to screen thousands of probable candidates. [6,7] However, when the design space is vast, using a brute-force approach is computationally infeasible even with modern algorithms and supercomputers. Therefore, optimization methods such as greedy algorithms and gradientbased algorithms are typically implemented in inverse design problems to search for optimal designs without having to explore the entire design space.…”

Section: Introductionmentioning

confidence: 99%