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Tri-functional oligomeric polyesters prepared from new dicarboxylic acids containing several amino acids residues by Higashi methodology: synthesis, characterization, and study of solubility and thermal behavior
(Chile. Universidad Mayor, 2021)
The synthesis of polyfunctional aliphatic oligomeric polyesters (poly(ether-imido-esters;PEIEs) containing several amino acid residues is described, and their thermal properties and solubility behavior were studied. The ...
Simulated mechanical properties of finite-size graphene nanoribbons
(IOP Publishing Ltd., 2021-01)
There are many simulation studies of mechanical properties of graphene nanoribbons (GNR), but there is a lack of agreement regarding elastic and plastic behavior. In this paper we aim to analyze mechanical properties of ...
Soft or Hard? Investigating the Deformation Mechanisms of Au-Pd and Pd Nanocubes under Compression: An Experimental and Molecular Dynamics Study
(AMER CHEMICAL SOC, 2021-11-18)
In the search for new mechanisms to improve and control the mechanical properties of nanostructures, the idea of tuning the strength through composition is appealing because of the extensive experimental availability of ...
Novel Polyelectrolytes Obtained by Direct Alkylation and Ion Replacement of a New Aromatic Polyamide Copolymer Bearing Pyridinyl Pendant Groups
(MDPI, 2021-07-05)
The following work shows, for the first time, the synthesis and characterization of a new family of polyelectrolytes, along with their preliminary assessments in terms of desalin water treatment. These materials fall into ...
Molecular Weight Enables Fine-Tuning the Thermal and Dielectric Properties of Polymethacrylates Bearing Sulfonyl and Nitrile Groups as Dipolar Entities
(MDPI, 2021-02-22)
In this work, polymethacrylates containing sulfonyl and nitrile functional groups were successfully prepared by conventional radical polymerization and reversible addition-fragmentation chain-transfer polymerization (RAFT). ...
Construction of 0D/2D composites heterostructured of CdTe QDs/ZnO hybrid layers to improve environmental remediation by a direct Z-scheme
(ELSEVIER, 2021-09-19)
Layered hybrid ZnO (2D) intercalated by myristic acid (MA) with (0D) CdTe quantum dots (QDs) was designed to increase the conversion efficiency of photochemical energy. The results showed that the introduction of CdTe QDs ...
Testing the Test: A Comparative Study of Marine Microbial Corrosion under Laboratory and Field Conditions
(AMER CHEMICAL SOC, 2021-06-25)
Microbially influenced corrosion (MIC) is an aggressive type of corrosion that occurs in aquatic environments and is sparked by the development of a complex biological matrix over a metal surface. In marine environments, ...
Development of a PHBV nanoparticle as a peptide vehicle for NOD1 activation
(TAYLOR & FRANCIS LTD, 2021-06-08)
NOD1 is an intracellular receptor that, when activated, induces gene expression of pro-inflammatory factors promoting macrophages and neutrophils recruitment at the infection site. However, iE-DAP, the dipeptide agonist ...
Indentation and scratching of iron by a rotating tool-a molecular dynamics study
(ELSEVIER, 2021-06-15)
When abrasive particles interact with a surface, besides translational center-of-mass motion also rotational motion of the abrasive may be involved. We perform molecular dynamics simulations of the influence of the rotational ...
Development of "on-demand" thermo-responsive hydrogels for anti-cancer drugs sustained release: Rational design, in silico prediction and in vitro validation in colon cancer models
(ELSEVIER, 2021-12)
A rational design accurate based on the use of Statistical Design of the Experiments (DoE) and Molecular Dynamics Simulations Studies allows the prediction and the understanding of thermo-responsive hydrogels prepared ...