Gold (III)-N,N-dimethyldithiocarbamate DMDT(Au)X2 complexes have recently gained increasing attention as potential anticancer agents because of their strong tumor cell growth–inhibitory effects, ...generally achieved by exploiting non-cisplatin-like mechanisms of action. The goal of our research work is to encapsulate the gold(III) dimethyldithiocarbamate complexes as anticancer with cucurbitnurils (CBn=5, 6) by accurate calculations, to predict the inclusion complex formation of gold(III) species with cucurbiturils (CBn=5, 6). The calculations were carried out just for the 1:1 stoichiometric complexes. Upon encapsulation, binding energy, thermodynamic parameters, structural parameters and electronic structures of complexes are investigated. The results of the thermodynamic calculations and the binding energy show that the inclusion process is exothermic and the CB6/DMDT(Au)Br2 complex is more stable than other complexes. The final geometry of CBn/drugs indicates that the drugs were expelled from the cavity of CBn. NBO calculations reveal that the hydrogen bonding between CBn and drugs and electrostatic interactions are the major factors contributing to the overall stabilities of the complexes.
In this work, we design and then synthesis of new derivatives of nucleosides, oxadiazoline derivatives containing acetylated sugars and α-aminophosphonate derivatives. The synthesized compounds have ...been elucidated by different spectroscopic analysis, such as, elemental analysis, 13C NMR, infrared (IR) and 1H NMR. The compounds previously synthesized were purified and then tested against breast cancer cells (MCF-7). The results showed that the compounds 5d, 6b, 7a and 9h showed moderate to very high activity against breast cancer, with incidence rates of 78.45%, 84.60%, 93.45% and 95.78%, respectively. The reference ratio of 5-fluorouracil was inhibitory of 96.02%. The binding potential of synthesized compounds against thymidylate synthase (TS) and Cathepsin B (CB) has been investigated and the compounds 7a and 9h exhibits highly binding with thymidylate synthase (TS) and Cathepsin B (CB).
Carbon black (CB) spherical particles were added to poly(ε-caprolactone) (PCL) polymer to produce strong synthetic tissue scaffolds for biomedical applications. The objective of this paper is to ...study the mechanical behavior of CB/PCL-based nanocomposites using experimental tests, multi-scale numerical approaches, and analytical models. The mechanical properties of CB/PCL scaffolds were characterized using thermal mechanical analysis and results show a significant increase of the elastic modulus with increasing nanofiller concentration up to 7 wt%. Conversely, finite element computations were performed using a simulated microstructure, and a numerical model based on the representative volume element (RVE) was generated. Thereafter, Young's moduli were computed using a 3D numerical homogenization technique. The approach takes into consideration CB particles’ diameters, as well as their random distribution and agglomerations into PCL. Experimental results were compared with data obtained using numerical approaches and analytical models. Consistency in the results was observed, especially in the case of lower CB fractions.
A novel biodegradable adsorbent called pyrolysed empty fruit bunch fibres (PEF) was prepared by chemo-physical activation of empty fruit bunch fibres (EFB) biochar for removal of cibacron blue 3G-A ...(CB) dye from aqueous solution. PEF was characterized using FTIR, SEM-EDX, XRD and BET techniques. The N2 adsorption-desorption isotherms indicated PEF’s surface area to be 362.84 m2g−1 and XRD attributed amorphous nature to PEF. After adsorption process, PEF has smoother surface morphology, increase in carbon by weight and shift in functional groups. The established adsorption optimum conditions were pH 10, 45 min contact time and 0.10 g/100 mL adsorbent dosage with 99.05% CB dye removal capacity at 343 K and initial dye concentration 100 mg/L. Desorption ratio >90% after seventh cycle of adsorption-desorption experiments confirmed high reusability (regeneration) of PEF. Pseudo second order kinetic and Freundlich were better fitted with kinetic and isotherm model respectively, while mechanism of adsorption was controlled by film diffusion (external mass transfer). Thermodynamic studied revealed ΔG, ΔS and ΔH to be −3.12 MJ/mol K, 9.11 kJ/mol K, 6.83 kJ/mol respectively at 343 K. The negative value of ΔG, positive values of ΔS and ΔH indicated spontaneity, feasibility and endothermic nature of CB dye adsorption from aqueous solution onto PEF.
A retrospective analysis of 25 full mouth intra oral radiographs, including bitewing films was carried out from the hospital records of King Saud University College of Dentistry in Riyadh, Saudi ...Arabia, A new classification of cervical burnout (CB) based on shape was attempted. Analysis of the data revealed greater frequency of CB in maxillary teeth (67.5%) than in the mandibular teeth (32.5%). The highest frequency among maxillary teeth was in incisors (75%), while the least was in the molars (30%). In mandible, the corresponding findings was in the canines (40%) and in the molars (15.3%). Seventy per cent of CB disappeared in bitewing view in maxillary and mandibular premolars while remaining teeth showed this phenomenon in less than 50% cases. It was concluded that the frequency of CB was greater in maxillary teeth than mandibular teeth. Maxillary incisors and mandibular canines are more likely to show CB. In molars and premolars, CB present in periapical radiographs may disappear in a bitewing view.
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