Wastewater purification from Rhodamine B and Gemifeloxacine by graphene oxide/pectin/ferrite nanocomposite: A novel molecular dynamics simulation for experimental contaminants removing.

In this study, the synthesized nanocomposite was evaluated novel graphene oxide/pectin/ferrite (GOPF) adsorbent to the adsorption of Rhodamine B (RhB) and Gemifloxacin (GEM) from wastewater. Theoretical studies were carried out using quantum simulation via the Forcite module in Material Studio 2017. The simulation results demonstrated RhB and GEM adsorption over other dyes and drugs. The synthesized nanocomposite was identified by BET, TGA, FT-IR, FE-SEM, XRD, VSM, and EDS. The nanocomposite's ability to effectively take RhB and GEM from an aqueous solution was checked by performing a series of experiments based on the effect of adsorbent dose, initial condensation, contact time, pH, and temperature. The nanocomposite kinetics follow a PSO. The Freundlich isotherm model was applied for maximum adsorption capacity of GEM (124.37 mg/g) and RhB (86.60 mg/g) on GOPF nanocomposite. According to the antibacterial activity test, the synthesized nanocomposite can kill bacteria 5 mm in diameter. Also, the anti-cancer test of nanocomposite was done with 75% viability in high concentrations of nanocomposite. Thus, GOPF application results are not only suitable for dyes but only satisfying for drugs. PRACTITIONER POINTS: GOPF nanocomposite was fabricated for adsorption dye and drug and characterized. The effect of different process parameters, pH, catalyst dosage, contact time, and temperature effect was surveyed. The MD simulation were investigated to adsorb various dyes and drugs. The equilibrium isotherm and adsorption kinetic follow from Freundlich and pseudo-second-order kinetics; GOPF nanocomposite was used for about six cycles. The antibacterial activity and anticancer test of GOPF nanocomposite were investigated by satisfying results.

A reliable QSPR model for predicting drug release rate from metal-organic frameworks: a simple and robust drug delivery approach.

During the drug release process, the drug is transferred from the starting point in the drug delivery system to the surface, and then to the release medium. Metal-organic frameworks (MOFs) potentially have unique features to be utilized as promising carriers for drug delivery, due to their suitable pore size, high surface area, and structural flexibility. The loading and release of various therapeutic drugs through the MOFs are effectively accomplished due to their tunable inorganic clusters and organic ligands. Since the drug release rate percentage (RES%) is a significant concern, a quantitative structure-property relationship (QSPR) method was applied to achieve an accurate model predicting the drug release rate from MOFs. Structure-based descriptors, including the number of nitrogen and oxygen atoms, along with two other adjusted descriptors, were applied for obtaining the best multilinear regression (BMLR) model. Drug release rates from 67 MOFs were applied to provide a precise model. The coefficients of determination (R2) for the training and test sets obtained were both 0.9999. The root mean square error for prediction (RMSEP) of the RES% values for the training and test sets were 0.006 and 0.005, respectively. To examine the precision of the model, external validation was performed through a set of new observations, which demonstrated that the model works to a satisfactory degree.

Enhanced Photocatalytic CO2 Reduction by Novel Designed Porphyrin-Based MOFs: From Accurate QSPR Model to Experimental Exploration.

A reliable quantitative structure-property relationship (QSPR) model was established for predicting the evolution rate of CO2 photoreduction over porphyrin-based metal-organic frameworks (MOFs) as photocatalysts. The determination coefficient (R 2) for both training and test sets was 0.999. The root-mean-squared error of prediction (RMSEP) obtained was 0.006 and 0.005 for training and test sets, respectively. Based on the proposed model, two porphyrin-based MOFs, Cu-PMOF and Co-PMOF, were designed, synthesized, and applied for CO2 photoreduction under UV-visible irradiation without any additional photosensitizer. The X-ray diffraction (XRD), diffuse reflectance spectroscopy (DRS), and Fourier transform infrared (FTIR) measurements revealed the successful formation of the porous MOFs. The N2 adsorption isotherms at 77 K showed a high Brunauer-Emmett-Teller (BET) surface area of 932.64 and 974.06 m2·g-1 for Cu-PMOF and Co-PMOF, respectively. Theoretical and experimental results showed that HCOOH evolution rates over Cu-PMOF and Co-PMOF were (127.80, 101.62 µmol) and (130.6, 103.47 µmol), respectively. These results were robust and satisfactory.

Recent advances on biomedical applications of pectin-containing biomaterials.

There is a growing demand for biomaterials developing with novel properties for biomedical applications hence, hydrogels with 3D crosslinked polymeric structures obtained from natural polymers have been deeply inspected in this field. Pectin a unique biopolymer found in the cell walls of fruits and vegetables is extensively used in the pharmaceutical, food, and textile industries due to its ability to form a thick gel-like solution. Considering biocompatibility, biodegradability, easy gelling capability, and facile manipulation of pectin-based biomaterials; they have been thoroughly investigated for various potential biomedical applications including drug delivery, wound healing, tissue engineering, creation of implantable devices, and skin-care products.

Functionalized graphene oxide nanosheets with folic acid and silk fibroin as a novel nanobiocomposite for biomedical applications.

In this paper, a novel graphene oxide-folic acid/silk fibroin (GO-FA/SF) nanobiocomposite scaffold was designed and fabricated using affordable and non-toxic materials. The GO was synthesized using the hummer method, covalently functionalized with FA, and then easily conjugated with extracted SF via the freeze-drying process. For characterization of the scaffold, several techniques were employed: Fourier-transform infrared (FT-IR), field emission scanning electron microscopy (FE-SEM), energy dispersive X-ray (EDX), and thermogravimetric analysis (TGA). The cell viability method, hemolysis, and anti-biofilm assays were performed, exploring the biological capability of the nanobiocomposite. The cell viability percentages were 96.67, 96.35 and 97.23% for 24, 48, and 72 h, respectively, and its hemolytic effect was less than 10%. In addition, it was shown that this nanobiocomposite prevents the formation of Pseudomonas aeruginosa biofilm and has antibacterial activity.

Novel magnetic organic-inorganic hybrids based on aromatic polyamides and ZnFe2O4 nanoparticles with biological activity.

Magnetic nanoparticles were creatively selected as stable, inexpensive, biodegradable, facile recoverable, and functionalizable supports for a variety of synthetic and natural polymers. Herein, for the first time, aromatic polyamide was synthesized on the magnetic core of zinc iron oxide (ZnFe2O4). Terephthaloyl chloride and derivations of phenylenediamine were employed as monomers in this polymerization process. The toxicity of the synthesized hybrid at the highest concentration (1000 µg/ml) is 13.65% and on the other hand, the cell viability percentage is 86.35%. So, the prepared hybrid is biocompatible and non-toxic to Hu02 cells. Also, it has antibacterial ability against gram-positive and gram-negative bacteria. Because the results show that the minimum inhibitory concentration (MIC) of the synthesized polymer for bacteria such as Staphylococcus aureus ATCC 25923, Escherichia coli ATCC 25922, and Pseudomonas aeruginosa ATCC 27853 is in the range of 500-1000 µg/ml. Moreover, the hemolytic effect of ZnFe2O4 based hybrid was below 9% at the concentration of 1000 µg/ml. Therefore, it is compatible with red blood cells.

The effects of acupressure on severity of primary dysmenorrhea.

BACKGROUND: Dysmenorrhea constitutes one of the most frequent disorders in women of a fertile age. The objective of this research was to determine the effects of acupressure at Sanyinjiao (SP6) point and DiJi (SP8) point on pain severity of primary dysmenorrhea and the associated systemic symptoms. MATERIALS AND METHODS: In this crossover clinical trial, 50 females aged 18-30 years old who met the study criteria and were under the care of Sarpolezahab Health Center were selected. Subjects were randomly assigned to one of two groups and evaluated during three menstrual cycles. We evaluated pain severity using the McGill pain scale and associated systemic symptoms using a verbal multidimensional scoring system. Data acquired from 42 cases were analyzed using SPSS software, with a P value of <0.05 considered significant. RESULTS: The findings of our study indicate that the severity of dysmenorrhea pain diminishes significantly for up to 2 hours following treatment with acupressure at the SP6 and SP8 points (P < 0.001). Furthermore, the severity of associated systemic symptoms reduced significantly after acupressure at the SP6 and SP8 points, except for nausea and vomiting. Comparison of the severity of systemic symptoms with acupressure at the SP6 and SP8 points revealed no significant difference except for severity of fatigue, which was reduced significantly further with SP6 point compared to SP8 point (P = 0.004). CONCLUSION: Acupressure at the SP6 and SP8 points can reduce pain severity of dysmenorrhea for up to 2 hours after application, and these points may be used to alleviate the severity of systemic symptoms accompanying dysmenorrhea.