3D Chitosan-Gallic Acid Complexes: Assessment of the Chemical and Biological Properties

Three-dimensional chitosan-gallic acid complexes were proposed and prepared for the first time by a simple adsorption process of gallic acid (GA) on three-dimensional chitosan structures (3D chitosan). Highly porous 3D devices facilitate a high GA load, up to 2015 mmol/kg at pH 4.0. The preservation of the redox state of GA released from 3D chitosan was confirmed by spectroscopic analyses. The antioxidant activity of 3D chitosan-GA complexes was assessed using the DPPH radical scavenging assay and was found to be dramatically higher than that of free chitosan. The mechanical property of 3D chitosan–GA complexes was also evaluated using a compression test. Finally, 3D chitosan–GA complexes showed a significant antimicrobial capacity against E. coli and S. aureus, selected, respectively, as a model strain for Gram-negative and Gram-positive bacteria. Our study demonstrated a new, simple, and eco-friendly approach to prepare functional chitosan-based complexes for nutraceutical, cosmeceutical, and pharmaceutical applications

High nonlinear optical response in 4-chlorothiazole-based azo dyes

Four azo dyes showing high nonlinear optical properties were prepared, based on a 4-chlorothiazole azo moiety functionalized with strong acceptor groups and/or further donor/acceptor groups along the conjugated backbone. The effects of the acceptors as well as the lateral donor/acceptor groups upon absorption properties, thermal stability and second order nonlinear optical activity were evaluated. © 2010 Elsevier Ltd. All rights reserved

Photopolymer-based volume holographic optical elements: design and possible applications

In this paper, Volume Holographic Optical Elements (V-HOEs), such as holographic gratings and spherical lenses, are designed and fabricated by using a prototype of photopolymer. The recording process of V-HOEs and their appropriate characterization are described. Moreover, V-HOEs possible applications as solar concentrator are investigated and results are discussed. Finally, a system that allows passive solar tracking is proposed and preliminary results are reported

Synthesis of highly regioregular poly[3-(4-alkoxyphenyl)-thiophene]s by oxidative catalysis using copper complexes

A novel, easy, and cost-effective synthetic procedure is reported for the production of very highly regioregular poly[3-(4-alkoxyphenyl)thiophene]s by means of oxidative coupling. Four copper complexes were synthesized and used as catalysts to obtain polymers with higher regioregularity compared to the previous oxidative coupling methodologies reported in the literature and similar to that obtained by McCullough and Rieke methods in the synthesis of poly-3-alkylthiophenes. The regioregularity of the synthesized polymers was investigated by UV-Visible characterization on polymer thin films and 1H NMR analysis. The remarkable potentialities of these polymers have emerged from field-effect transistor mobility measurements operated on devices with bottom-contact configuration and hexamethyldisilazane-treated SiO 2 gate dielectric, showing a well-defined p-type field-effect response and maximum mobility values in air higher than 10-4 cm 2 V-1 s-1. © 2013 Wiley Periodicals, Inc

Computational approach to design of aptamers to the receptor binding domain of sars-cov-2

The aim of the research. In this work, in silico selection of DNA-aptamers to the receptor-binding domain (RBD) of the SARS-CoV-2 spike protein was performed using molecular modeling methods. Material and methods. A new computational approach to aptamer in silico selection is based on a cycle of simulations, including the stages of molecular modeling, molecular docking, molecular dynamic simulations, and quantum chemical calculations. To verify the obtained calculated results flow cytometry, fluorescence polarization, and small-angle X-ray scattering methods were applied. Results. An initial library consisted of 256 16-mer oligonucleotides was modeled. Based on molecular docking results, the only one aptamer (Apt16) was selected from the library as a starting aptamer to the RBD protein. For Apt16/RBD complex, molecular dynamic and quantum chemical calculations revealed the pairs of nucleotides and amino acids whose contribution to the binding between aptamer and RBD is the largest. Taking into account these data, Apt16 was subjected to the structure modifications in order to increase the binding with the RBD. Thus, a new aptamer Apt25 was designed. The procedure of 1) aptamer structure modeling/modification, 2) molecular docking, 3) molecular dynamic simulations, 4) quantum chemical calculations was performed sev-eral times. As a result, four aptamers (Apt16, Apt25, Apt27, Apt31) to the RBD were designed in silico without any preliminary experimental data. Binding of the each modeled aptamer to the RBD was studied in terms of interactions between residues in protein and nucleotides in the aptamers. Based on the simulation results, the strongest binding with the RBD was predicted for two Apt27 and Apt31aptamers. The calculated results are in good agreement with experimental data obtained by flow cytometry, fluorescence polarization, and small-angle X-ray scattering methods. Conclusion. The proposed computational approach to selection and refinement of aptamers is universal and can be used for wide range of molecular ligands and targets. Key words

Photopolymer-based volume holographic optical elements: design and possible applications

In this paper, Volume Holographic Optical Elements (V-HOEs), such as holographic gratings and spherical lenses, are designed and fabricated by using a prototype of photopolymer. The recording process of V-HOEs and their appropriate characterization are described. Moreover, V-HOEs possible applications as solar concentrator are investigated and results are discussed. Finally, a system that allows passive solar tracking is proposed and preliminary results are reported

Photopolymer-based volume holographic optical elements: design and possible applications

In this paper, Volume Holographic Optical Elements (V-HOEs), such as holographic gratings and spherical lenses, are designed and fabricated by using a prototype of photopolymer. The recording process of V-HOEs and their appropriate characterization are described. Moreover, V-HOEs possible applications as solar concentrator are investigated and results are discussed. Finally, a system that allows passive solar tracking is proposed and preliminary results are reported

Exploring the DNA2-PNA heterotriplex formation in targeting the Bcl-2 gene promoter: A structural insight by physico-chemical and microsecond-scale MD investigation

Peptide Nucleic Acids (PNAs) represent a promising tool for gene modulation in anticancer treatment. The uncharged peptidyl backbone and the resistance to chemical and enzymatic degradation make PNAs highly advantageous to form stable hybrid complexes with complementary DNA and RNA strands, providing higher stability than the corresponding natural analogues. Our and other groups’ research has successfully shown that tailored PNA sequences can effectively downregulate the expression of human oncogenes using antigene, antisense, or anti-miRNA approaches. Specifically, we identified a seven bases-long PNA sequence, complementary to the longer loop of the main G-quadruplex structure formed by the bcl2midG4 promoter sequence, capable of downregulating the expression of the antiapoptotic Bcl-2 protein and enhancing the anticancer activity of an oncolytic adenovirus. Here, we extended the length of the PNA probe with the aim of including the double-stranded Bcl-2 promoter among the targets of the PNA probe. Our investigation primarily focused on the structural aspects of the resulting DNA2-PNA heterotriplex that were determined by employing conventional and accelerated microsecond-scale molecular dynamics simulations and chemical-physical analysis. Additionally, we conducted preliminary biological experiments using cytotoxicity assays on human A549 and MDA-MB-436 adenocarcinoma cell lines, employing the oncolytic adenovirus delivery strategy