1,721,000 research outputs found
Interactions of α-Tocopherol in F127/lignin microemulsions: A DFT and semi-empirical study
Full text linkTocopherols are fat soluble substances with antioxidant properties. The α-Tocopherol (T) is the major form of Tocopherols and can decrease the risk of cancer. F127-based and Lignin-based oil-in-water microemulsions seem to increase the bioavailability of T and cause better release of this therapeutic agent. Thus, T-loaded microemulsions were designed by means of density functional theory (DFT) and semi-empirical methods. Atoms in molecules (AIM), natural bond orbital (NBO) analyses, localized molecular orbital energy decomposition analysis (LMO-EDA), and density of states plots were employed to explore the effective factors on the strength of the interactions between surfactants and T. Results indicate that F127-T complexes are more stable than Lignin-T ones. Furthermore, the stable release of T in microemulsions is due to the electrostatic interactions between surfactants and T. Formation of hydrogen bond (HB) interactions between surfactants and T stabilizes the microemulsion system. These interplays are suggested to take part in the better function of T in microemulsions compared to free T. The semi-empirical study reveals that the heats of formation (ΔHf values) of the F127-T complexes are less negative than those for the Lignin-T ones
Theoretical studies on the quercetin interactions in the oil-in-water F127 microemulsion: A DFT and MD investigation
Full text linkQuercetin (Q) has attracted the attention of researchers for potential applications in advanced therapeutic treatments due to its antioxidant attributes and renal tissue improvement. F127-based oil-in-water microemulsions improved the bioavailability of Q and showed greater retention and more stable release. In this study, Q-loaded microemulsion was designed with the help of simulation techniques. The mechanism of action of Q was investigated in the bulk and microemulsion forms. The simulation results show the fast accumulation of Q molecules around 2,2-diphenyl-1-picrylhydrazyl (DPPH) molecules (free radicals) in bulk form and the slow accumulation of Q molecules around DPPH in microemulsion form. The stable release of Q in microemulsion form was found to be due to the powerful van der Waals (vdW) interactions between Q and F127. For a better and deeper understanding of the nature of mutual interactions between Q (enol and keto forms) and F127, quantum mechanical calculations were performed at the B3LYP/6-31G(d,p) level of theory. In particular, atoms in molecules (AIM) and natural bond orbital (NBO) analyses were performed to evaluate the strength of the interactions between Q and F127. The results showed that the formation of a strong hydrogen bond (HB) between Qenol and F127 stabilizes the microemulsion system and can contribute to the better performance of Q microemulsion compared to free Q in bulk
Advancements in tissue and organ 3D bioprinting: Current techniques, applications, and future perspectives
Full text link3D bioprinting techniques have emerged as a flexible tool in tissue engineering and regenerative medicine to fabricate or pattern functional 3D bio-structures with precise geometric designs, bridging the divergence between engineered and natural tissue constructs. A significantly increasing development has been achieved in understanding the relationship between the 3D-printing process and the structures, properties, and applications of the objects created. The ongoing advancement of novel biomaterial inks has enabled manufacturing of models and in vitro implants capable of achieving some level of success in preclinical trials. Remarkable progress in cell biology and biology-inspired computational design has assisted in achieving the latest milestone with planned tissue- or organ-like constructs having specific levels of functionality. However, biofabricated constructs still have a long way to go before reaching clinics. This review presents a picture of 3D bioprinting in the context of tissue engineering and regenerative medicine, with focus on biomaterials-related and design-centred aspects. Biomedical applications are described in detail in relation to major tissues or organs considered in the human body. Current technical limitations, challenges, future prospects and improvements are critically outlined and discussed
Oil-in-water microemulsion encapsulation of antagonist drugs prevents renal ischemia-reperfusion injury in rats
Full text linkDeveloping new therapeutic drugs to prevent ischemia/reperfusion (I/R)-induced renal injuries is highly pursued. Liposomal encapsulation of spironolactone (SP) as a mineralocorticoid antagonist increases dissolution rate, bioavailability and prevents the drug from degradation. In this context, this work develops a new formulation of oil-in-water type microemulsions to enhance the bioavailability of SP. The size of the SP-loaded microemulsion was about 6.0 nm by dynamic light scattering analysis. Briefly, we investigated the effects of nano-encapsulated SP (NESP) on renal oxidative stress, biochemical markers and histopathological changes in a rat model of renal I/R injury. Forty eight male Wistar rats were divided into six groups. Two groups served as control and injury model (I/R). Two groups received “conventional” SP administration (20 mg/kg) and NESP (20 mg/kg), respectively, for two days. The remaining two groups received SP (20 mg/kg) and NESP (20 mg/kg) two days before induction of I/R. At the end of the experiments, serum and kidneys of rats underwent biochemical, molecular and histological examinations. Our results showed that I/R induces renal oxidative stress, abnormal histological features and altered levels of renal biomarkers. Administration of SP in healthy animals did not cause any significant changes in the measured biochemical and histological parameters compared to the control group. However, SP administration in the I/R group caused some corrections in renal injury, although it could not completely restore I/R-induced renal oxidative stress and kidney damage. On the contrary, NESP administration restored kidney oxidative injury via decreasing renal lipid peroxidation and enhancing glutathione, superoxide dismutase and catalase in kidneys of the I/R group. The deviated serum levels of urea, creatinine, total proteins and uric acid were also normalized by NESP administration. Furthermore, NESP protected against renal abnormal histology features induced by I/R. Therefore, NESP has beneficial effects in preventing kidney damage and renal oxidative stress in a rat model of I/R, which deserves further evaluations in the future
Hydroxyapatite for biomedical applications: A short overview
Full text linkCalcium phosphates (CaPs) are biocompatible and biodegradable materials showing a great promise in bone regeneration as good alternative to the use of auto-and allografts to guide and support tissue regeneration in critically-sized bone defects. This can be certainly attributed to their similarity to the mineral phase of natural bone. Among CaPs, hydroxyapatite (HA) deserves a special attention as it, actually is the main inorganic component of bone tissue. This review offers a comprehensive overview of past and current trends in the use of HA as grafting material, with a focus on manufacturing strategies and their effect on the mechanical properties of the final products. Recent advances in materials processing allowed the production of HA-based grafts in different forms, thus meeting the requirements for a range of clinical applications and achieving enthusiastic results both in vitro and in vivo. Furthermore, the growing interest in the optimization of three-dimensional (3D) porous grafts, mimicking the trabecular architecture of human bone, has opened up new challenges in the development of bone-like scaffolds showing suitable mechanical performances for potential use in load bearing anatomical sites
pH-Responsive PVA-Based Nanofibers Containing GO Modified with Ag Nanoparticles: Physico-Chemical Characterization, Wound Dressing, and Drug Delivery
Full text linkSite-specific drug delivery and carrying repairing agents for wound healing purposes can be achieved using the intertwined three-dimensional structure of nanofibers. This study aimed to optimize and fabricate poly (vinyl alcohol) (PVA)-graphene oxide (GO)-silver (Ag) nanofibers containing curcumin (CUR) using the electrospinning method for potential wound healing applications. Fourier Transform Infrared (FTIR) spectrophotometry, X-ray Diffraction (XRD), Scanning Electron Microscopy (SEM), Dynamic Light Scattering (DLS), and zeta potential were used to characterize the nanostructures. The mechanical properties of the nanostructures were subsequently examined by tensile strength and elongation test. As shown by MIC analysis of E. coli and S. aureus bacteria, the fabricated nanofibers had superior inhibitory effects on the bacteria growth. Ag nanoparticles incorporation into the nanofibers resulted in increased loading and encapsulation efficiencies from 21% to 56% and from 61% to 86%, respectively. CUR release from PVA/GO-Ag-CUR nanofiber at pH 7.4 was prevented, while the acidic microenvironment (pH 5.4) increased the release of CUR from PVA/GO-Ag-CUR nanofiber, corroborating the pH-sensitivity of the nanofibers. Using the in vitro wound healing test on NIH 3T3 fibroblast cells, we observed accelerated growth and proliferation of cells cultured on PVA/GO-Ag-CUR nanofibers
Molecular dynamics, quantum mechanical and semi-empirical investigations of paclitaxel-containing oil-in-water pluronic F127 and lignin microemulsions
Full text linkOil-in-water microemulsions based on surfactants F127 and lignin may enhance the availability of Paclitaxel (PTX) in bio-systems that lead to improved drug delivery. Therefore, PTX-loaded microemulsions were designed by means of molecular dynamics (MD) simulations, density functional theory (DFT), and semi-empirical methods. The MD simulations revealed a more stable release of PTX in microemulsion form compared to the bulk one (free drug). Quantum mechanics calculations pointed out that stability of the PTX-F127 microemulsions are higher compared to PTX-Lignin ones. Furthermore, hydrogen bond (HB) forces help to ensure the stability of the PTX-surfactants in microemulsions. Alteration of atomic charges due to hydrogen bond forces and charge transport (CT) influence the stability of the PTX-loaded microemulsions. HB interactions appeared to play an important role on the improved action of PTX in microemulsion systems compared to free drug. The delivery of PTX in microemulsion systems is attributable to the exchange interactions between surfactants and PTX. The semi-empirical calculations showed that the heat of formation values (ΔHf) of the PTX-F127 complexes are larger (more negative) than those for the PTX-Lignin ones
Going Beyond Counting First Authors in Author Co-citation Analysis
Full text linkThe present study examines one of the fundamental aspects of author co-citation analysis (ACA) - the way co-citation
counts are defined. Co-citation counting provides the data on which all subsequent statistical analyses and mappings
are based, and we compare ACA results based on two different types of co-citation counting - the traditional type that
only counts the first one among a cited work's authors on the one hand and a non-traditional type that takes into
account the first 5 authors of a cited work on the other hand. Results indicate that the picture produced through this non-traditional author co-citation counting contains more coherent author groups and is therefore considerably clearer. However, this picture represents fewer specialties in the research field being studied than that produced through the traditional first-author co-citation counting when the same number of top-ranked authors is selected and analyzed. Reasons for these effects are discussed
CoNiZn and CoNiFe nanoparticles: synthesis, physical characterization, and in vitro cytotoxicity evaluations
Full text linkThe polyol method has been used to synthesize CoNiFe and CoNiZn alloy nanoparticles (NPs). The magnetic characteristics of the products have been measured by vibration sample magnetometry (VSM) analysis. At the same time, the microstructure and morphology were inspected by X-ray diffraction (XRD) and scanning electron microscopy (SEM), respectively. Magnetic measurement of samples by the VSM indicated that samples have soft ferromagnetic behavior. Spherical-shaped grains for samples were confirmed by the SEM. MTT (3-(4,5-Dimethylthiazol-2-yl)-2,5-diphenyltetrazolium bromide) and lactate dehydrogenase (LDH) assays were used to determine the cytotoxic effects of the synthesized NPs. Cytotoxic evaluations showed that treatment with 25 to 400 μg/mL of CoNiZn and CoNiFe NPs exerted a significant time-and concentration-dependent toxicity in MCF7 and HUVEC cells and markedly enhanced the LDH leakage after 48 h of exposure (p < 0.05 compared with untreated cells). Furthermore, NPs with concentrations higher than 12.5 μg/mL induced evident morphological changes in the studied cell lines. Treatment with 12.5 μg/mL of CoNiZn and CoNiFe NPs was safe and did not affect normal human cell survival. The results of in vitro cytotoxicity assessments show promise in supporting the suitability of the synthesized NPs to build high-performance theranostic nanoplatforms for simultaneous cancer imaging and therapy without affecting normal human cells
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