Synthesis,anticancer activity,and β‐lactoglobulin binding interactions of multitargeted kinase inhibitor sorafenib tosylate (SORt) using spectroscopic and molecular modelling approaches

Sorafenib tosylate (SORt) is an oral multikinase inhibitor used for treatment of advanced renal cell, liver, and thyroid cancers. In this study, this drug was synthesized and its antiproliferative activities against HCT116 and CT26 cells were assessed. The interaction of SORt with β‐lactoglobulin (BLG) was studied using different fluorescence techniques, circular dichroism (CD), zeta potential measurements, and docking simulation. The results of infrared (IR), mass, ^HNMR, and ^CNMR spectra demonstrated that the drug was produced with high quality, purity, and efficiency. SORt showed potent cytotoxicity against HCT116 and CT26 cells with IC₅₀ of 8.12 and 5.42 μM, respectively. For BLG binding of SORt, the results showed that static quenching was the cause of the high affinity drug–protein interaction. Three‐dimensional fluorescence and synchronous spectra indicated that SORt conformation was changed at different levels. CD suggested that the α‐helix content remained almost constant in the BLG–SORt complex, whereas random coil content decreased. Zeta potential values of BLG were more positive after binding with SORt, due to electrostatic interactions between BLG and SORt. Thermodynamic parameters confirmed van der Waals and hydrogen bond interactions in the complex formation. Molecular modelling predicted the presence of hydrogen bonds and electrostatic forces in the BLG–SORt system, which was consistent with the experimental results.     

The Role of Peptide-Based Tumor Vaccines on Cytokines of Adaptive Immunity: A Review

International Journal of Peptide Research and Therapeutics - Recently, peptide-based materials have been applied to solving many therapeutic problems and have shown particular efficacy as cancer...     

Theory for designing mechanically stable single- and double-walled SiGe nanopeapods

Journal of Molecular Modeling - The adsorption and inhibition mechanism of chain length increase and group substitution of imidazole tetrafluoroborate derivatives for the corrosion inhibition of...     

Increasing the quality of services and resource utilization in vehicular cloud computing using best host selection methods

One of the technology for increasing the safety and welfare of humans in roads is Vehicular Cloud Computing (VCC). This technology can utilize cloud computing advantages in the Vehicular Ad Hoc Network (VANET). VCC by utilizing modern equipment along with current vehicles, can play a significant role in the area of smart transportation systems. Given the potential of this technology, effective methods for managing existing resources and providing the expected service quality that is essential for such an environment are not yet available as it should. One of the most important barriers to providing such solutions seems to be resource constraints and very high dynamics in vehicles in VCC. In this article, based on virtualization and taking into account the environment with these features, we propose simple ways to manage resources better and improve the quality of service. We were able to achieve better results in simulation than previous methods by providing a flexible data structure to control the important data in the environment effectively. To illustrate the impact of the proposed methods, we compared them with some of the most important methods in this context, and we used SUMO 1.2.0 and MATLAB R2019a software to simulate them. Simulation results indicate that the proposed methods provide better results than previous methods in terms of resource efficiency, Quality of Service (QoS), and load balancing.

     

A Comparative Study of a Novel Anti-reflective Layer to Improve the Performance of a Thin-Film GaAs Solar Cell by Embedding Plasmonic Nanoparticles

In this research work, a systematic design of a novel anti-reflective layer using embedded plasmonic nanoparticles is investigated for a thin-film GaAs solar cell. First, an anti-reflective layer that is made from ITO or SiO₂ is assumed in which Al nanoparticles are embedded inside them to manipulate the absorption and hence the photocurrent of a 500-nm GaAs solar cell. It is investigated that the Al nanoparticles embedded inside the anti-reflective coating improve the photocurrent of a GaAs solar cell. For instance, the 15.37 mA photocurrent is obtained for 500-nm bare GaAs cell, and it reached to 17.25 mA/cm² and 20.18 mA/cm² when an ITO anti-reflection is used with Al nanoparticles on top and inside that, respectively. It increases to 21.94 mA/cm² and 24.98 mA/cm² in the case of the anti-reflective layer made from SiO₂ and Al nanoparticles at the top side or inside that, respectively. Finally, using a double anti-reflective layer that is made from SiO₂-TiO₂, the maximum photocurrents of 23.79 mA/cm² and 24.68 mA /cm² are obtained when Al nanoparticles are at the top side or inside that, respectively. The simulation results show that the embedding Al nanoparticles in the anti-reflective layer can improve the photocurrent of a thin-film GaAs solar cell.

     

A Tunable Perfect THz Metamaterial Absorber with Three Absorption Peaks Based on Nonstructured Graphene

In this paper, a graphene-based tunable multi-band terahertz absorber is proposed and numerically investigated. The proposed absorber can achieve perfect absorption within both sharp and ultra-broadband absorption spectra. This wide range of absorption is gathered through a unique combination of periodically cross- and square-shaped dielectrics sandwiched between two graphene sheets; the latter enables it to offer more absorption in comparison with the traditional single-layer graphene structures. The aforementioned top layer is mounted on a gold plate separated by a Topas layer with zero volume loss. Furthermore, in our proposed approach, we investigated the possibility of changing the shapes and sizes of the dielectric layers instead of the geometry of the graphene layers to alleviate the edge effects and manufacturing complications. In numerical simulations, parameters, such as graphene Fermi energy and the dimensions of the proposed dielectric layout, have been optimally tuned to reach perfect absorption. We have verified that the performance of our dielectric layout called fishnet, with two widely investigated dielectric layouts in the literature (namely, cross-shaped and frame-and-square). Our results demonstrate two absorption bands with near-unity absorbance at frequencies of 1.6–2.3 and 4.2–4.9 THz, with absorption efficiency of 98% in 1.96 and 4.62 THz, respectively. Moreover, a broadband absorption in the 7.77–9.78 THz is observed with an absorption efficiency of 99.6% that was attained in 8.44–9.11 THz. Finally, the versatility provided by the tunability of three operation bands of the absorber makes it a great candidate for integration into terahertz optoelectronic devices.

     

A Dermal Gel Made of Rutilus Kutum Skin Collagen-Chitosan for Deep Burn Healing

International Journal of Peptide Research and Therapeutics - Natural compounds extracted from marine organisms consisting of biological active materials like collagen provide a major source of...     

Prediction of shape and internal structure of the proximal femur using a modified level set method for structural topology optimisation

A computational framework was developed to simulate the bone remodelling process as a structural topology optimisation problem. The mathematical formulation of the Level Set technique was extended and then implemented into a coronal plane model of the proximal femur to simulate the remodelling of internal structure and external geometry of bone into the optimal state. Results indicated that the proposed approach could reasonably mimic the major geometrical and material features of the natural bone. Simulation of the internal bone remodelling on the typical gross shape of the proximal femur, resulted in a density distribution pattern with good consistency with that of the natural bone. When both external and internal bone remodelling were simulated simultaneously, the initial rectangular design domain with a regularly distributed mass reduced gradually to an optimal state with external shape and internal structure similar to those of the natural proximal femur.     

The codon-optimization of cfaE gene and evaluating its high expression capacity and conserved immunogenicity in Escherichia coli

Enterotoxigenic Escherichia coli (ETEC) is the most common cause of children diarrhea in the world. Adhesion of ETEC to small intestine is an important virulence trait. One of the most prevalent colonization factors (CFs) in human is CFA/I fimbriae and CfaE which is the required binding factor for adhesion of ETEC to intestinal mucosa.We optimized cfaE gene codons according to codon bias of E. coli to achieve a high level of recombinant protein expression. The optimized gene was expressed in E. coli and rCFaE protein was used for mice immunization. Blocking activity of the obtained antibody was examined by microplate agglutination inhibition test. SDS-PAGE analysis indicated that the optimized sequence of cfaE produces a suitable amount of rCFaE in comparison with native gene sequence. This optimized rCFaE protein could induces strong humoral response in mice and the antibody obtained against rCFaE inhibited the adhesion of ETEC to human group A erythrocytes. It is concluded that codon optimization is a useful approach for obtaining large quantities of recombinant rCFaE protein. With regard to the results of hemagglutination inhibition test, codon optimization and increased production of recombinant protein expressed in E. coli did not affect the immunogenicity potential of CFaE.     

PDZK1 Is a Novel Factor in Breast Cancer That Is Indirectly Regulated by Estrogen through IGF-1R and Promotes Estrogen-Mediated Growth

Although a relationship between PDZK1 expression and estrogen receptor (ER)-α stimulation has been suggested, the nature of such a connection and the function of PDZK1 in breast cancer remain unknown. Human tissue microarrays (cancer tissue: 262 cores; normal tissue: 87 cores) and breast cancer cell lines were used to conduct the study. We show that PDZK1 protein expression is tightly correlated with human breast malignancy, is negatively correlated with age and had no significant correlation with ER-α expression levels. PDZK1 exhibited an exclusive epithelial expression with mostly cytosolic subcellular localization. Additionally, 17β-estradiol induced PDZK1 expression above its basal level more than 24 h after treatment in MCF-7 cells. PDZK1 expression was indirectly regulated by ER-α stimulation, requiring insulinlike growth factor 1 receptor (IGF-1R) expression and function. The molecular link between PDZK1 and IGF-1R was supported by a significant correlation between protein and mRNA levels (r = 0.591, p < 0.001, and r = 0.537, p < 0.001, respectively) of the two factors in two different cohorts of human breast cancer tissues. Interestingly, PDZK1 knockdown in MCF-7 cells blocked ER-dependent growth and reduced c-Myc expression, whereas ectopic expression of PDZK1 enhanced cell proliferation in the presence or absence of 17β-estradiol potentially through an increase in c-Myc expression, suggesting that PDZK1 has oncogenic activity. PDKZ1 also appeared to interact with the Src/ER-α/epidermal growth factor receptor (EGFR) complex, but not with IGF-1R and enhanced EGFR-stimulated MEK/ERK1/2 signaling. Collectively, our results clarify the relationship between ER-α and PDZK1, propose a direct relationship between PDZK1 and IGF-1R, and identify a novel oncogenic activity for PDZK1 in breast cancer.