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1.
Polymers (Basel) ; 15(14)2023 Jul 22.
Article in English | MEDLINE | ID: mdl-37514510

ABSTRACT

Collagen/hydroxyapatite hybrids are promising biomimetic materials that can replace or temporarily substitute bone tissues. The process of biomineralization was carried out through a double diffusion system. The methodological principle consisted in applying an electric field on the incubation medium to promote the opposite migration of ions into collagen membranes to form hydroxyapatite (HA) on the collagen membrane. Two physically separated solutions were used for the incubation medium, one rich in phosphate ions and the other in calcium ions, and their effects were evaluated against the traditional mineralization in Simulated Body Fluid (SBF). Pre-polarization of the organic membranes and the effect of incubation time on the biomineralization process were also assessed by FTIR and Raman spectroscopies.Our results demonstrated that the membrane pre-polarization significantly accelerated the mineralization process on collagen. On the other side, it was found that the application of the electric field influenced the collagen structure and its interactions with the mineral phase. The increment of the mineralization degree enhanced the photoluminescence properties of the collagen/HA materials, while the conductivity and the dielectric constant were reduced. These results might provide a useful approach for future applications in manufacturing biomimetic bone-like materials.

2.
Pharmaceutics ; 14(4)2022 Mar 26.
Article in English | MEDLINE | ID: mdl-35456539

ABSTRACT

Microbial diseases have been declared one of the main threats to humanity, which is why, in recent years, great interest has been generated in the development of nanocomposites with antimicrobial capacity. The present work studied two magnetic nanocomposites based on graphene oxide (GO) and multiwall carbon nanotubes (MWCNTs). The synthesis of these magnetic nanocomposites consisted of three phases: first, the synthesis of iron magnetic nanoparticles (MNPs), second, the adsorption of the photosensitizer menthol-Zinc phthalocyanine (ZnMintPc) into MWCNTs and GO, and the third phase, encapsulation in poly (N-vinylcaprolactam-co-poly(ethylene glycol diacrylate)) poly (VCL-co-PEGDA) polymer VCL/PEGDA a biocompatible hydrogel, to obtain the magnetic nanocomposites VCL/PEGDA-MNPs-MWCNTs-ZnMintPc and VCL/PEGDA-MNPs-GO-ZnMintPc. In vitro studies were carried out using Escherichia coli and Staphylococcus aureus bacteria and the Candida albicans yeast based on the Photodynamic/Photothermal (PTT/PDT) effect. This research describes the nanocomposites' optical, morphological, magnetic, and photophysical characteristics and their application as antimicrobial agents. The antimicrobial effect of magnetics nanocomposites was evaluated based on the PDT/PTT effect. For this purpose, doses of 65 mW·cm-2 with 630 nm light were used. The VCL/PEGDA-MNPs-GO-ZnMintPc nanocomposite eliminated E. coli and S. aureus colonies, while the VCL/PEGDA-MNPs-MWCNTs-ZnMintPc nanocomposite was able to kill the three types of microorganisms. Consequently, the latter is considered a broad-spectrum antimicrobial agent in PDT and PTT.

3.
Gels ; 7(4)2021 Dec 10.
Article in English | MEDLINE | ID: mdl-34940316

ABSTRACT

Rechargeable zinc-air batteries are promising for energy storage and portable electronic applications because of their good safety, high energy density, material abundance, low cost, and environmental friendliness. A series of alkaline gel polymer electrolytes formed from polyvinyl alcohol (PVA) and different amounts of terpolymer composed of butyl acrylate, vinyl acetate, and vinyl neodecanoate (VAVTD) was synthesized applying a solution casting technique. The thin films were doped with KOH 12M, providing a higher amount of water and free ions inside the electrolyte matrix. The inclusion of VAVTD together with the PVA polymer improved several of the electrical properties of the PVA-based gel polymer electrolytes (GPEs). X-ray diffraction (XRD), thermogravimetric analysis (TGA), and attenuated total reflectance- Fourier-transform infrared spectroscopy (ATR-FTIR) tests, confirming that PVA chains rearrange depending on the VAVTD content and improving the amorphous region. The most conducting electrolyte film was the test specimen 1:4 (PVA-VAVTD) soaked in KOH solution, reaching a conductivity of 0.019 S/cm at room temperature. The temperature dependence of the conductivity agrees with the Arrhenius equation and activation energy of ~0.077 eV resulted, depending on the electrolyte composition. In addition, the cyclic voltammetry study showed a current intensity increase at higher VAVTD content, reaching values of 310 mA. Finally, these gel polymer electrolytes were tested in Zn-air batteries, obtaining capacities of 165 mAh and 195 mAh for PVA-T4 and PVA-T5 sunk in KOH, respectively, at a discharge current of -5 mA.

4.
Polymers (Basel) ; 13(19)2021 Sep 23.
Article in English | MEDLINE | ID: mdl-34641042

ABSTRACT

The development of bio-based materials has been a consequence of the environmental awareness generated over time. The versatility of native starch is a promising starting point for manufacturing environmentally friendly materials. This work aims to compile information on the advancements in research on thermoplastic starch (TPS) nanocomposites after the addition of mainly these four nanofillers: natural montmorillonite (MMT), organically modified montmorillonite (O-MMT), cellulose nanocrystals (CNC), and cellulose nanofibers (CNF). The analyzed properties of nanocomposites were mechanical, barrier, optical, and degradability. The most important results were that as the nanofiller increases, the TPS modulus and strength increase; however, the elongation decreases. Furthermore, the barrier properties indicate that that the incorporation of nanofillers confers superior hydrophobicity. However, the optical properties (transparency and luminosity) are mostly reduced, and the color variation is more evident with the addition of these fillers. The biodegradability rate increases with these nanocompounds, as demonstrated by the study of the method of burial in the soil. The results of this compilation show that the compatibility, proper dispersion, and distribution of nanofiller through the TPS matrix are critical factors in overcoming the limitations of starch when extending the applications of these biomaterials. TPS nanocomposites are materials with great potential for improvement. Exploring new sources of starch and natural nano-reinforcement could lead to a genuinely eco-friendly material that can replace traditional polymers in applications such as packaging.

5.
Biosystems ; 201: 104315, 2021 Mar.
Article in English | MEDLINE | ID: mdl-33358827

ABSTRACT

This paper presents a computer simulation of a virtual robot that behaves as a peptide chain of the Hemagglutinin-Esterase protein (HEs) from human coronavirus. The robot can learn efficient protein folding policies by itself and then use them to solve HEs folding episodes. The proposed robotic unfolded structure inhabits a dynamic environment and is driven by a self-taught neural agent. The neural agent can read sensors and control the angles and interactions between individual amino acids. During the training phase, the agent uses reinforcement learning to explore new folding forms that conduce toward more significant rewards. The memory of the agent is implemented with neural networks. These neural networks are noise-balanced trained to satisfy the look for future conditions required by the Bellman equation. In the operating phase, the components merge into a wise up protein folding robot with look-ahead capacities, which consistently solves a section of the HEs protein.


Subject(s)
Protein Folding , Robotics/methods , Algorithms , Amino Acid Sequence , Computer Simulation , Coronavirus/chemistry , Hemagglutinins, Viral/chemistry , Humans , Machine Learning , Models, Molecular , Neural Networks, Computer , Protein Conformation , Robotics/statistics & numerical data , Systems Analysis , Systems Biology , Viral Fusion Proteins/chemistry , Viral Proteins/chemistry
6.
Heliyon ; 6(6): e04199, 2020 Jun.
Article in English | MEDLINE | ID: mdl-32637679

ABSTRACT

The nature of the interaction between the molecules of the sodium dodecyl sulfate surfactant forming two crystal phases, one anhydrous, NaC12H25O4S and the other, NaC12H25O4S.H2O, hydrated with one water molecule for unit cell, has been studied in detail using the quantum theory of atoms in molecules and a localized electron detector function. It was found that for the anhydrous crystal, the head groups of the surfactant molecules are linked into a head-to-head pattern, by a bond path network of Na-O ionic bonds, where each Na+ atom is attached to four S O 4 - groups. For the hydrated crystal, in addition to these four bonds for Na+, two additional ones appear with the oxygen atoms of the water molecules, forming a bond paths network of ionic Na-O bonds, that link the Na+ atoms with the S O 4 - groups and the H2O molecules. Each H2O molecule is bonded to two S O 4 - groups via hydrogen bonds, while the S O 4 - groups are linked to a maximum of four Na+ atoms. The phenomenon of aggregation of the sodium dodecyl sulfate molecules at the liquid water/vacuum interface was studied using NVT molecular dynamics simulations. We have found that for surfactant aggregates, the Na+ ions are linked to a maximum of three SO4 - groups and three water molecules that form Na-O bonds. Unlike hydrated crystal, each of the O atoms that make these Na-O bonds is linked to only one Na+ ion. Despite these differences, like the crystal phases, the surfactant molecules tend to form a head-to-head network pattern of ionic Na-O bonds that link their heads. The present results indicate that the clustering of anionic surfactant at the water/vacuum interface is a consequence of the electrostatic alignment of the cationic and anionic groups as occurs in the crystalline phases of sodium dodecyl sulfate.

7.
Nanomaterials (Basel) ; 10(1)2019 Dec 27.
Article in English | MEDLINE | ID: mdl-31892125

ABSTRACT

A hydrogen peroxide (H2O2) sensor and biosensor based on modified multi-walled carbon nanotubes (CNTs) with titanium dioxide (TiO2) nanostructures was designed and evaluated. The construction of the sensor was performed using a glassy carbon (GC) modified electrode with a TiO2-CNT film and Prussian blue (PB) as an electrocalatyzer. The same sensor was also employed as the basis for H2O2 biosensor construction through further modification with horseradish peroxidase (HRP) immobilized at the TiO2-fCNT film. Functionalized CNTs (fCNTs) and modified TiO2-fCNTs were characterized by Transmission Electron Microscopy (TEM), Fourier Transform Infrared Spectroscopy (FTIR), and X-Ray DifFraction (XRD), confirming the presence of anatase over the fCNTs. Depending on the surface charge, a solvent which optimizes the CNT dispersion was selected: dimethyl formamide (DMF) for fCNTs and sodium dodecylsulfate (SDS) for TiO2-fCNTs. Calculated values for the electron transfer rate constant (ks) were 0.027 s-1 at the PB-fCNT/GC modified electrode and 4.7 × 10-4 s-1 at the PB-TiO2/fCNT/GC electrode, suggesting that, at the PB-TiO2/fCNT/GC modified electrode, the electronic transfer was improved. According to these results, the PB-fCNT/GC electrode exhibited better Detection Limit (LD) and Quantification Limit (LQ) than the PB-TiO2/fCNT/GC electrode for H2O2. However, the PB film was very unstable at the potentials used. Therefore, the PB-TiO2/fCNT/GC modified electrode was considered the best for H2O2 detection in terms of operability. Cyclic Voltammetry (CV) behaviors of the HRP-TiO2/fCNT/GC modified electrodes before and after the chronoamperometric test for H2O2, suggest the high stability of the enzymatic electrode. In comparison with other HRP/fCNT-based electrochemical biosensors previously described in the literature, the HRP-fCNTs/GC modified electrode did not show an electroanalytical response toward H2O2.

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