ABSTRACT Electrochemical oxidation is an efficient method for the destruction of dyes in wastewater streams. The experimental conditions during electrochemical oxidation (EO) and molecular structure of a dye greatly influence the extent of degradation. The extent of degradation for a variety of dyes by EO can be predicted conveniently by the use of Quantitative structure–activity Relationship (QSAR) models. An abundant amount of published data on dye degradation by EO using highly variable experimental conditions lies unutilized to prepare QSAR models. In this study, an effort is made to use published experimental data on EO of aqueous dyes after applying an easy method of normalization, to prepare QSAR models for percent color and COD removal. Normalized color and COD removal were obtained by multiplying the reported removal by volume of reactor and concentration of dye; and divided by total current passed and the time of electrolysis. More than 15 molecular descriptors were computed using Schrodinger-suit 2018-3. The multiple linear regression (MLR) approach was used to develop normalized color and COD removal models. The quantum chemical descriptors: highest occupied molecular orbital energy (HOMO) and lowest unoccupied molecular orbital energy (LUMO), polar surface area (PSA), hydrogen bond donor count (HBD), and number of atoms were found significant. The statistical indices: goodness-of-fit, R2 > 0.75, and internal and external validations, Q2 LOOCV and Q2 ext, > 0.5, satisfied the criteria for predictive models and indicated that the method of normalization used in this study is adequate. Developed QSAR models are quite simple, interpretable, and transparent. GRAPHICAL ABSTRACT

Quantitative structure–activity relationship(QSAR) models for color and COD removal for some dyes subjected to electrochemical oxidation

Uniformly dispersed Pd nanoparticles on certain supports exhibit exceptional catalytic performance toward various environmental applications. In this work, ultrafine Pd nanoparticles anchored on CeO2 nanorods were synthesized via an absorption-in situ reduction method. The activity of the CeO2/Pd nanocomposites was systematically investigated toward reduction of 4-nitrophenol (4-NP) and organic dyes including methyl blue, rhodamine B, methyl orange, and Congo red. The results indicated that the CeO2/Pd nanocomposites with different weight ratios of Pd nanoparticles (10.23 wt%, 11.01 wt%, and 14.27 wt%) can almost completely reduce 4-NP with a rate constant of 3.31×10−1, 3.22×10−1, and 2.23×10−1 min−1. Besides, the 10.23 wt% CeO2/Pd nanocomposites exhibit remarkable enhanced catalytic activity toward reduction of organic dyes. The catalysts display ideal stability after being used for three times for the reduction of 4-NP. We believe that our strategy demonstrated here offers insights into the design and fabrication of novel Pd-based nanocomposites for various heterogeneous catalysis applications.

Highly efficient catalytic reduction of 4-nitrophenol and organic dyes by ultrafine palladium nanoparticles anchored on CeO2 nanorods

Electrochemical hydrogenation detoxication of p-nitrophenol via self-supported rGO/CoP/CF electrode: Performance, mechanism and biotoxicity

Increasing concentrations of nitrate in water sources are a growing problem, requiring the development of techniques to remove them. In the present study, nitrate removal was investigated in undivided and divided electrolytic cells in the absence and presence of Ag0-coated polyvinyl alcohol (Ag-PVA) beads. In the undivided cell with graphite anode and iron cathode, nitrate removal was limited to 13 and 28 % in the absence and presence of 6.67 mM Ag-PVA, respectively, with negligible Total Nitrogen (TN) removal in both case. In a divided cell, nitrate and TN removal were 70 and 12 %, respectively, in the absence of Ag-PVA, increasing to 85 and 52 %, respectively, in the presence of 6.67 mM Ag-PVA. Nitrate removal in the divided cell in the presence of Ag-PVA using different cathode materials followed an order: Fe > Ti ≈ Cu > SS > Tin-coated Fe (Fe/Sn). The highest conversion to N2 was obtained with a Fe cathode with negligible nitrite formation. Among different concentrations of Ag-PVA, the highest nitrate removal and selectivity for N2 was achieved at 6.67 mM. Increasing the current density to 15 mA/cm2 increased nitrate reduction with improved selectivity for N2. It appears that the intercalation of nascent hydrogen on Ag0 leads to the formation of reductive species that enhance nitrate reduction. Ag-PVA beads could be reused up to 8 times. This study introduces novel, easily recoverable, and highly reusable Ag-PVA beads as a catalyst for the efficient removal of nitrate from water. 

Electrochemical reduction of nitrate in the presence of silver-coated polyvinyl alcohol beads as a spatially suspended catalyst

Increasing nitrate concentrations in water sources is a serious concern. The current study demonstrates the electrochemical reduction of nitrate in the presence of silver metallic particles (AgMPs). Using Ti/RuO2 anode and a Ti cathode, nitrate removal in undivided and divided cells was limited to 18% and 77%, respectively, in the absence of AgMPs. Total Nitrogen (TN) removal in undivided and divided cells was nil and 29.5%, respectively, in the absence of AgMPs. Under identical conditions, the presence of 8 mM AgMPs increased nitrate removal to 63% and 99%, respectively, with significant improvement in nitrate conversion to N2. The effect of various parameters on nitrate removal and selectivity of products was studied using a divided cell: concentration of AgMPs, inter-electrode distance, cathode material, current density, initial nitrate concentration, and reusability of AgMPs. In the presence of 8 mM AgMPs, nitrate removal using different cathodes was Ti ≈ Fe > Cu > SS > Fe/Sn. The cathode type also affected the selectivity, with the maximum conversion to N2 achieved with the Ti cathode. Nitrate removal and conversion to N2 improved with the increase in current density up to 10 mA/cm2. Overall, the presence of AgMPs substantially improved nitrate removal and conversion to N2. The production of reductive species (AgHx) by the intercalation of nascent hydrogen on metallic silver appears to promote catalytic nitrate reduction. AgMPs could be reused up to 10 times with consistent performance. This work offers a new approach to nitrate reduction using an efficient and reusable catalyst. 

Electrochemical reduction of aqueous nitrate using metallic silver particles as spatially suspended catalyst

Rapid electro-catalytic reduction of azo dyes and phenolic compounds in the presence of metallic palladium

Abstract Ovarian cancer remains the most lethal gynecological malignancy worldwide due to lack of effective screening, vague early symptoms, poor description of biomarkers, and absence of effective treatment regimes. Epithelial ovarian carcinoma (EOC) is categorized into five distinct disease subtypes which collectively account for ~90% of ovarian carcinomas. Most women present at advanced stages contributing to a poor overall 5-year survival rate. Standard treatment for EOC is cytoreductive surgery and platinum-based chemotherapy; however, most patients suffer from recurrence and platinum-resistant disease, which highlights an urgent need for targeted therapy. The high frequency of molecular alterations affecting gain-of-function signaling through the RAS mitogen-activated protein kinase (MAPK) pathway in EOC has prompted pre-clinical and clinical efforts toward research into the effectiveness of MAPK pathway inhibition as a second-line treatment. The RAS/MAPK pathway is a highly conserved signal transduction cascade, often disrupted in cancer, that regulates tumorigenic phenotypes including cellular proliferation, survival, migration, apoptosis, and differentiation. Herein, the role of the MAPK pathway in EOC with emphasis on targetability of the pathway is described. Pre-clinical and clinical efforts to target MAPK signaling in EOC have identified several MAPK pathway inhibitors that offer efficacious potential for monotherapy and in combination with other compounds. Thus, inhibition of the RAS/MAPK pathway is emerging as a tractable strategy for treatment of ovarian cancer that may permit development of personalized therapy and improved prognosis for women challenged by this disease.

https://www.dovepress.com/getfile.php?fileID=85230

Aberrant MAPK Signaling Offers Therapeutic Potential for Treatment of Ovarian Carcinoma

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Rapid electro-catalytic reduction of azo dyes and phenolic compounds in the presence of metallic palladium

Aberrant MAPK Signaling Offers Therapeutic Potential for Treatment of Ovarian Carcinoma