Explainable Graph Neural Networks with Data Augmentation for Predicting pKa of C-H Acids.

The pKa of C-H acids is an important parameter in the fields of organic synthesis, drug discovery, and materials science. However, the prediction of pKa is still a great challenge due to the limit of experimental data and the lack of chemical insight. Here, a new model for predicting the pKa values of C-H acids is proposed on the basis of graph neural networks (GNNs) and data augmentation. A message passing unit (MPU) was used to extract the topological and target-related information from the molecular graph data, and a readout layer was utilized to retrieve the information on the ionization site C atom. The retrieved information then was adopted to predict pKa by a fully connected network. Furthermore, to increase the diversity of the training data, a knowledge-infused data augmentation technique was established by replacing the H atoms in a molecule with substituents exhibiting different electronic effects. The MPU was pretrained with the augmented data. The efficacy of data augmentation was confirmed by visualizing the distribution of compounds with different substituents and by classifying compounds. The explainability of the model was studied by examining the change of pKa values when a specific atom was masked. This explainability was used to identify the key substituents for pKa. The model was evaluated on two data sets from the iBonD database. Dataset1 includes the experimental pKa values of C-H acids measured in DMSO, while dataset2 comprises the pKa values measured in water. The results show that the knowledge-infused data augmentation technique greatly improves the predictive accuracy of the model, especially when the number of samples is small.

Biodegradation of commercial textile reactive dye mixtures by industrial effluent adapted bacterial consortium VITPBC6: a potential technique for treating textile effluents.

Textile industries release major fraction of dyestuffs in effluents leading to a major environmental concern. These effluents often contain more than one dyestuff, which complicates dye degradation. In this study ten reactive dyes (Reactive Yellow 145, Reactive Yellow 160, Reactive Orange 16, Reactive Orange 107, Reactive Red 195, Reactive Blue 21, Reactive Blue 198, Reactive Blue 221, Reactive Blue 250, and Reactive Black 5) that are used in textile industries were subjected to biodegradation by a bacterial consortium VITPBC6, formulated in our previous study. Consortium VITPBC6 caused single dye degradation of all the mentioned dyes except for Reactive Yellow 160. Further, VITPBC6 efficiently degraded a five-dye mixture (Reactive Red 195, Reactive Orange 16, Reactive Black 5, Reactive Blue 221, and Reactive Blue 250). Kinetic studies revealed that the five-dye mixture was decolorized by VITPBC6 following zero order reaction kinetic; Vmax and Km values of the enzyme catalyzed five-dye decolorization were 128.88 mg L-1 day-1 and 1003.226 mg L-1 respectively. VITPBC6 degraded the dye mixture into delta-3,4,5,6-Tetrachlorocyclohexene, sulfuric acid, 1,2-dichloroethane, and hydroxyphenoxyethylaminohydroxypropanol. Phytotoxicity, cytogenotoxicity, microtoxicity, and biotoxicity assays conducted with the biodegraded metabolites revealed that VITPBC6 lowered the toxicity of five-dye mixture significantly after biodegradation.

Acidified groundnut cake for enhanced bio adsorption of anionic textile dye Reactive Red 195.

This study focuses on the improvement of bioremediation of textile dye Reactive Red 195 using agro-industrial waste, groundnut oil cake (GNOC) obtained after oil-pressing. The treatment of GNOC with 1 N H2SO4 had resulted in physiochemical changes on the insoluble porous adsorbent, which improved their adsorption efficiency. The dye removal efficiency increased from 55% to 94% on acidification of GNOC. The raw groundnut oil cake (RGNOC) and acid-treated groundnut oil cake (AGNOC) were characterized using Fourier-transform infrared spectroscopy (FTIR), scanning electron microscopy (SEM), X-ray diffraction, and zeta potential. The rate and efficiency of dye adsorption were examined using adsorption kinetics and isotherm models. The results confirm that acid-treated GNOC eliminates impurities, alter the surface functional groups, and significantly increase porous surface areas of RGNOC. The investigation of key factors such as contact time, initial concentration of dye, static/agitation impact, particle size, and adsorbent dose had significantly influenced adsorption capacity of GNOC. Adsorption of dye fits best into the Langmuir model and equilibrium data of dye on AGNOC was explained by psuedo-second-order reaction with maximum adsorption capacity of 12.65 mg/g. This emphasis AGNOC has a very excellent potential to remove the textile dye Reactive Red dye from industrial effluent.

This study reports the primary investigation exploring the application of groundnut oil cake (RGNOC) and its acid-modified (AGNOC) version for the bioremediation of industrially used textile dye Reactive Red 195 (RR195). The core objective of this study is to use a low-cost biosorbent to remove RR195 dye from effluent that pose risk to the health and environment. This study analyses the adsorption capacity of RGNOC and its acid-modified version AGNOC to treat contaminated water and the influencing parameters. AGNOC adsorption potential for RR195 dye sequestration was shown to be higher compared to RGNOC. Acidification of the adsorbent is simple, cost expensive, and more efficient alternate approaches to scale up for industrial application. As a result, an attempt has been made to add a new adsorbent to the database.

Decolorization and detoxification of Brilliant Crocein GR by a newly enriched thermophilic consortium.

The environmental pollution caused by azo dyes at high temperatures has become an urgent problem. However, little attention has been paid to decolorizing azo dyes by thermophilic consortiums. In this study, a thermophilic bacterial consortium (BCGR-T) mainly composed of two genera, namely, Caldibacillus (70.90%) and Aeribacillus (17.63%) was first enriched, which can decolorize Brilliant Crocein GR (BCGR) at high temperatures (50-75 °C), pH values of 6∼8, dye concentrations (100-400 mg/L) and salinities (1-5%, w/v). The enzyme activity results showed that the azoreductase activity was nearly 8.8 times that of the control (p < 0.01), and the intracellular lignin peroxidase was also highly expressed with enzyme activity of 5.64 U (min-1 mg-1 protein) (p < 0.05), indicated that both azoreductase and intracellular lignin peroxidase played an important part in the decolorization process. Furthermore, seven new intermediate metabolic products, including aniline, phthalic acid, 2-carboxy benzaldehyde, phenylacetic acid, benzoic acid, toluene, and 4-methyl-hexanoic acid, were identified. In addition, functional genes related with the azo dye decolorization, such as those encoding the azoreductase, laccase, FMN reductase, NADPH-/NADH-quinone oxidoreductases and NADPH-/NADH dehydrogenases, catechol dioxygenase, homogentisate 1,2-dioxygenase, protocatechuate 3,4-dioxygenase, gentisate 1,2-dioxygenase, azobenzene reductase, naphthalene 1,2-dioxygenase, benzoate/toluate 1,2-dioxygenase, and anthranilate 1,2-dioxygenase and so on were found in the metagenome of the consortium BCGR-T. Finally, a new decolorization pathway of the thermophilic consortium BCGR-T was proposed. In addition, the phototoxicity of BCGR decreased after decolorization. Overall, the thermophilic consortium BCGR-T could be a promising candidate in the treatment of high concentration azo dye wastewater at high temperatures.

Solar-activated and hydrothermally synthesized effective rGO/Ag2S composites for the destruction of naphthol green B dye and antibacterial applications.

Graphene-based nanocomposites are developing as a new class of materials with several uses. The varied weight percentages of rGO on Ag2S catalysts were synthesized using a simple hydrothermal process and employed for the decomposition of anionic dye naphthol green B (NGB) under solar light. The reduced graphene oxide-based silver sulfide (rGO/Ag2S) nanoparticles were then examined using XRD, SEM, EDS, HR-TEM, XPS, UV-DRS, and PL analysis. Using solar light, the photocatalytic activity of the produced catalyst was examined for the degradation of naphthol green B (NGB) in an aqueous solution. At pH 9, rGO/Ag2S is discovered to be more effective than the other catalysts for the NGB dye mineralization. Analyses have been conducted on the influence of operational parameters on the photo-mineralization of NGB, including the initial pH, initial dye concentration, and catalyst dosage. The dye concentration increased; the efficiency of photocatalytic degradation tended to decrease. Chemical oxygen demand (COD) studies have verified the NGB dye mineralization. Active species trapping revealed that holes, hydroxyl radicals, and superoxide radicals all played major roles in the photocatalytic deterioration of NGB processes. Additionally, a potential mechanism of NGB dye degradation by rGO/Ag2S catalyst is presented. The synthesized compound was further evaluated for antibacterial activity, and the results indicated that rGO/Ag2S were potentially effective antibacterial agents.

C.I. Acid Black 1 transfer from dilute solution to perlite framework in organic waste management.

Dyes, considered as toxic and persistent pollutants, must be removed from organic wastes prior to their composting and application in sustainable agriculture. Azo dyes, capable of altering the physicochemical properties of soil, are difficult to expel by conventional wastewater treatments. C.I. Acid Black 1 (AB 1), a sulfonated azo dye, inhibits nitrification and ammonification in the soil, lessens the nitrogen use efficacy in crop production and passes substantially unaltered through an activated sludge process. The retention of C.I. Acid Black 1 by raw and expanded perlite was investigated in order to examine the potential effectiveness of this aluminosilicate material toward organic waste cleanup. Dye adsorption proved spontaneous and endothermic in nature, increasing with temperature for both perlites. Expanded perlite having a more open structure exhibited a better performance compared to the raw material. Several of the most widely recognized two-parameter theoretical models, i.e., Langmuir, Freundlich, Temkin, Brunauer-Emmett-Teller (BET), Harkins-Jura, Halsey, Henderson, and Smith, were applied to reveal physicochemical features characterizing the adsorption. The Langmuir, Freundlich, Temkin, BET, Henderson, and Smith equations best fitted experimental data indicating that the adsorption of anionic dye on perlites is controlled by their surface, i.e., non-uniformity in structure and charge. This heterogeneity of surface is considered responsible for promoting specific dye adsorption areas creating dye "islands" with local dye supersaturations.

Adsorption of azo dye by biomass and immobilized Yarrowia lipolytica; equilibrium, kinetic and thermodynamic studies.

One of the major environmental problems we have today is dye pollution, primarily caused by the textile industry. This pollution has detrimental effects on aquatic life, soil fertility, and human health. Many microbial biosorbents have been documented in the literature for the removal of a wide range of azo dyes commonly employed in the textile industry. However, Yarrowia lipolytica NBRC1658 is firstly used as both free and immobilized sorbents for the removal of Reactive yellow 18 (RY18), acid red 18 (AR18) and basic blue 41 (BB41) in this study. The effect of experimental conditions such as pH, biosorbent quantity, dye concentration, contact time, and temperature on dye removal capacity are examined. The research findings demonstrate that the adsorption capacity is higher in biomass compared to immobilized cells. The highest adsorption capacities are observed at pH 2 for RY18 and AR18, while pH 9 is optimal for BB41. Increasing the adsorbent dosage and initial concentration significantly improves the adsorption capacity. The Langmuir model best describes the adsorption process, indicating that the dye attaches to the biosorbent in a single layer, with a uniform biosorbent surface. The removal of the dye occurs through a chemical process on the biosorbent surface, as evidenced by the pseudo-second-order kinetic model. According to thermodynamic analysis, higher temperatures promote greater adsorption of dyes. Our study shows the effectiveness of Yarrowia lipolyica NBRC1658 as a biosorbent in the removal of a wide range of industrial dyes.

Enzymatic Synthesis of TNA Protects DNA Nanostructures.

Xeno-nucleic acids (XNAs) are synthetic genetic polymers with improved biological stabilities and offer powerful molecular tools such as aptamers and catalysts. However, XNA application has been hindered by a very limited repertoire of tool enzymes, particularly those that enable de novo XNA synthesis. Here we report that terminal deoxynucleotide transferase (TdT) catalyzes untemplated threose nucleic acid (TNA) synthesis at the 3' terminus of DNA oligonucleotide, resulting in DNA-TNA chimera resistant to exonuclease digestion. Moreover, TdT-catalyzed TNA extension supports one-pot batch preparation of biostable chimeric oligonucleotides, which can be used directly as staple strands during self-assembly of DNA origami nanostructures (DONs). Such TNA-protected DONs show enhanced biological stability in the presence of exonuclease I, DNase I and fetal bovine serum. This work not only expands the available enzyme toolbox for XNA synthesis and manipulation, but also provides a promising approach to fabricate DONs with improved stability under the physiological condition.

Systematic Structural Tuning Yields Hydrazonyl Sultones for Faster Bioorthogonal Protein Modification.

We report the synthesis of a series of hydrazonyl sultones (HS) containing an ortho-CF3 group, a five- or six-membered sultone ring, and a varying N-aryl substituent, and characterization of their aqueous stability and reactivity toward bicyclo[6.1.0]non-4-yn-9-ylmethanol (BCN) in a 1,3-dipolar cycloaddition reaction. To avoid purification of highly polar intermediates, we employed two protecting groups in our synthetic schemes. Most HS were obtained in moderate to good yields under optimized reaction conditions. The X-ray crystal structure analysis of two HS revealed that the partially negative-charged fluorine atoms in CF3 electrostatically shield the electrophilic nitrile imine (NI) center from a nucleophilic attack, underpinning their extraordinary aqueous stability. In addition, the N-aryl substituents further modulate HS reactivity and stability, with the electron-rich six-membered HS displaying excellent aqueous stability and increased cycloaddition reactivity. The utility of these improved HS reagents was demonstrated through fast and selective modification of a BCNK-encoded nanobody with second-order rate constants as high as 1500 M-1 s-1 in phosphate-buffered saline-ethanol (9 : 1), representing the fastest HS-BCN ligation reported in the literature.

An optical sensor for the sensitive determination of formaldehyde gas based on chromotropic acid and 4-aminoazobenzene immobilized in a hydrophilic membrane.

Formaldehyde is a common contaminant in occupational and environmental atmospheres, prolonged exposure leads to health risks, and its determination is necessary to protect health. There is a great demand for portable, rapid, and sensitive methods that can be used in resource-limited settings. In this respect, a colorimetric sensor has been developed based on the colour change from pink to purple of co-immobilized chromotropic acid and 4-aminoazobenzene in hydroxypropyl methylcellulose when it is exposed to different concentrations of formaldehyde. The concentration of formaldehyde in the gas phase was quantified by measuring the change of the appropriate colour coordinates in response to the concentration of formaldehyde. A calibration curve was obtained for formaldehyde, with a useful concentration range from 0.08 to 0.6 ppmv. The detection limit was 0.016 ppmv, which is lower than the maximum exposure concentrations recommended by both the World Health Organization (WHO) and the Occupational Safety and Health Administration (OSHA). The optical sensor was found to have good reproducibility, with a relative standard deviation of 2.3 and 1.7% at 0.08 and 0.25 ppmv, respectively. The sensor can operate at room temperature and environmental humidity, 25 °C, and 50% RH, respectively. In addition, a study of interferents (acetaldehyde, toluene, methanol, ethyl acetate, acetone, acetic acid, carbon dioxide and ammonia) showed high selectivity for formaldehyde, which indicates that this membrane is a simple, fast, and economical alternative for quantifying the concentration of formaldehyde in different environments.

Prevalence of dilated mid-ascending aorta in individuals 15 years and older: In search of optimal diagnostic criteria and their effect on the burden of disease.

BACKGROUND: Controversy regarding the definition of the upper limit of normal (ULN) for dilated mid-ascending aorta (mAA) stems from variation in criteria, based on several small-sized studies with small datasets of normal subjects (DONS). The present study was carried out to demonstrate this variation in the prevalence of mAA dilation and to identify the optimal definition by creating the largest DONS. METHODS: Echocardiographic studies of patients ≥ 15 years of age performed at a large tertiary care center over 4 years (n = 49,330) were retrospectively evaluated. The leading-edge-to-leading-edge technique was used to measure the mAA in diastole. The largest-to-date DONS (n = 2334) was created, including those who were normal on medical record review, did not have any of the 28 causes of dilated aorta, and had normal echocardiograms. Because age had the strongest correlation with mAA (multivariate adjusted R2 = 0.26), as compared with sex, height, and weight, we created a new ULN based on the DONS with narrow age stratification (10-year intervals). RESULTS: The prevalence of dilated mAA varied between 17% and 23% when absolute criteria were used with sex stratification, and it varied between 6% and 11% when relative criteria (relative to age, body surface area, and sex) were used. Based on new criteria from the DONS, it was 7.6%, with a ULN of 3.07-3.64 cm in women and 3.3-3.91 cm in men. CONCLUSIONS: These data demonstrate the undesirable variation in the prevalence of dilated mAA based on prior criteria and propose a new ULN for dilated mAA.

Association between urinary biomarkers of polycyclic aromatic hydrocarbons and severe abdominal aortic calcification in adults: data from the National Health and Examination Nutrition Survey.

OBJECTIVE: Recent studies have found that polycyclic aromatic hydrocarbons (PAHs) exposure may increase the risk of cardiovascular disease. The present study aimed to explore the association between PAHs exposure and severe abdominal aortic calcification (AAC) in adults. METHODS: Data were collected from the 2013-2014 National Health and Nutrition Examination Survey. PAHs exposure was analyzed from urinary mono hydroxylated metabolites of PAHs. Logistic regression models and subgroup analysis were performed to explore the association of PAHs exposure with severe AAC prevalence. RESULTS: A total of 1,005 eligible individuals were recruited into the study. After adjusting for confounding factors, those with the highest quartiles of 1-hydroxynaphthalene (1-NAP: OR 2.19, 95% CI 1.03-4.68, Pfor trend < 0.001), 2-hydroxynaphthalene (2-NAP: OR 2.22, 95% CI 1.04-4.64, Pfor trend < 0.001) and 1-hydroxypyrene (1-PYR: OR 2.15, 95% CI 1.06-4.33, Pfor trend < 0.001) were associated with an increased prevalence of severe AAC in the adults compared to those who in the lowest quartile. CONCLUSION: This study found that urinary 1-NAP, 2-NAP and 1-PYR were positively associated with severe AAC prevalence in adults.

Efficient removal of RR2 dye by electro- Ce(III) process with its elegant arts and attractive charm in performance, energy consumption and mechanism.

Reactive red 2 (RR2) azo dye wastewater poses a serious hazard to the water environment health, so using a novel and efficient Electro- Ce(III) (E- Ce(III)) process takes on a critical significance in treating RR2 dye wastewater. In this study, the effects of a variety of single-factor conditions on RR2 removal efficiency were evaluated in depth. The results indicated that the optimal experimental conditions are as reaction temperature of 25 °C, Na2SO4 concentration of 25 mM, Ce(III) concentration of 0.3 mM, pH of 4.0, and current density of 40.0 mA/cm2. When the RR2 dye wastewater was treated for 40 min under the optimal experimental conditions, a high removal rate of 99.8% for RR2 was obtained. It is suggested that the background ion PO43- in the dye wastewater inhibits the E-Ce (III) process, whereas Cl- facilitates this process. Moreover, the yield of Ce(IV) increases with the increase of the current density. At the current density of 40.0 mA/cm2, a reasonable energy consumption of 3.85 kW h/gTOC for the process was obtained after the 3-h treatment. The effects of different degradation processes (including Direct Electrooxidation (DEO), single Ce(III), and E-Ce (III)) on RR2 removal efficiency and TOC change were compared. The types of oxidizing substances in the E-Ce (III) process were detected, and the mechanism of RR2 oxidative degradation in the E-Ce (III) process was summarized. The result suggests that the E-Ce (III) process has low power consumption. Meanwhile, in the E-Ce (III) process, free reactive Ce(IV) with strong oxidation is continuously generated, RR2 can be efficiently degraded. And the continuous cycle transformation between Ce(III) and Ce(IV) maintains the strong oxidation of the process. The contribution of free reactive Ce(IV) and DEO to RR2 degradation was obtained as 58.8% and 39.8%, respectively. The combined effect of Ce(IV) and DEO played a major role in the E-Ce (III) process, while ·OH exhibited a relatively weak effect (nearly 1.4%). RR2 was comprised of 13 major intermediates, and the biodegradability of wastewater was improved significantly after treatment, thus facilitating the further mineralization and biodegradation of the products. The E- Ce(III) process is novel, efficient, and environment-friendly, and has a large market application space, suggesting that it can be applied as an efficient, economic, and sustainable water treatment process.

Sodium Naphthalenesulfonate and Sodium Polynaphthalenesulfonate.

The Expert Panel for Cosmetic Ingredient Safety reviewed newly available studies since their original assessment in 2003, along with updated information regarding product types and concentrations of use, and confirmed that Sodium Naphthalenesulfonate and Sodium Polynaphthalenesulfonate are safe as cosmetic ingredients in the practices of use and concentration as described in this report in formulations intended to be applied to the skin.

Spatial distribution of Hg in Pra River Basin, Southwestern Ghana using HF acid combination method.

The study assessed the spatial distribution of total mercury (THg) in soils, sediments, mining wastes, and Au-rich Hg-contaminated tailings from artisanal and small-scale gold mining (ASGM) from Offin, Lower and Upper Pra, Birim, and Anum Rivers, Pra River Basin, Southwestern Ghana. THg measurement using Cold Vapor Atomic Absorption Spectrometry (CVAAS) after acid digestion with HNO3/HCl/HF and k0-INAA, as a reference method, and both provided comparable results. A digestion method, HNO3/HClO2/H2SO4 acid mixture before CVAAS provided lower results, which indicates that the use of HF is of fundamental importance in THg analysis based on acid digestion and its omission may significantly underestimate the presence of Hg in soils and sediments. THg in soils, sediments, Au-rich Hg-contaminated tailings, and mining wastes from the river basin were liberated into a solution for measurement using HNO3/HCl/HF. The study revealed Offin and Lower Pra Rivers showed high distribution (ranges; mg Hg kg-1) of THg in soils (103-770) and sediments (0.20-20.8), respectively; Upper Pra and Anum rivers showed the lowest THg in soils (2.20-3.20) and sediments (0.004-0.02), respectively. About 76.0% of THg in sediments was lower than the USEPA guideline of 0.2 mg Hg kg-1. The highest mean THg (mg Hg kg-1) in Au-rich Hg-contaminated tailings (1673 ± 4.8, n = 4) and mining wastes (17.3-21.5) were from the river Offin. The study showed Offin (Dunkwa-on-Offin site 1) and Lower Pra (Beposo Township) rivers are Hg hotspots that need attention.

Potential Environmental Contaminants: Exploring Hydrolyzed Dyes in Household Washing Sources and Electrochemical Degradation.

Reactive dyes are often released into the environment during the washing process due to their susceptibility to hydrolysis. The hydrolysis experiment of a pure reactive dye, red 195 (RR 195), and the washing experiment of RR 195-colored fabrics (CFSCs) were carried out successively to explore the sources of hydrolyzed dyes in the washing microenvironment. Reversed-phase high-performance liquid chromatography (RP-HPLC) was used for the analysis of hydrolysis intermediates and final products of reactive red 195. The experimental results indicated that the structure of the dye washing shed is consistent with the final hydrolysate of reactive red 195, which is the main colored contaminant in washing wastewater. To eliminate the hydrolyzed dyes from the source, an electrochemical degradation device was designed. The degradation parameters, including voltage, electrolyte concentration, and dye shedding concentration are discussed in the electrochemical degradation experiment. The electrochemical degradation device was also successfully implemented and verified in a home washing machine.

Synthesis of γ-Sultam-Annelated δ-Lactams via the Castagnoli-Cushman Reaction of Sultam-Based Dicarboxylic Acids.

An unusual type of highly reactive sultam-based dicarboxylic acids and correscponding anhydrides was employed in the Castagnoli-Cushman reaction delivering diastereomerically pure adducts at room temperature. Due to steric congestion, the initial adducts were prone to decarboxylation affording diastereomeric mixtures of bicyclic sultam lactams, separable by HPLC. The choice of a protecting group on the sultam nitrogen atom allows liberation of the NH-sultam, which is not only suitable for further modification but represents a known pharmacophore for carbonic anhydrase inhibition.

Pd-catalysed intramolecular transformations of indolylbenzenesulfonamides: ortho-sulfonamido-bi(hetero)aryls via C2-arylation and polycyclic sultams via C3 arylation.

Palladium-catalysed and base-dependent intra-molecular ipso-substitution and cyclisation strategies involving N-indolyl-substituted aryl-sulfonamides for the rapid construction of 2-aryl indole and indole-fused six-membered sultams are described. The Pd(OAc)2/Ph3P/Et3N combination delivers indolyl C2 arylated motifs via C(2)-N bond cleavage followed by C-C bond formation. In sharp contrast to this, the Pd(OAc)2/Ph3P/K2CO3 combination induced intramolecular-Heck cross-coupling affords polycyclic sultams exclusively. Thus, this strategy is completely additive-dependent. It also shows a broad substrate scope and delivers the corresponding products in good to high yields.

Sodium hydroxide pre-treated Aspergillus flavus biomass for the removal of reactive black 5 and its toxicity evaluation.

The present study was focused on the removal of Reactive Black 5 (RB5) from aqueous solution using pre treated Aspergillus flavus as a biosorbent. Pre-treatment of fungal biomass with 0.1 M sodium hydroxide facilitated the removal of dye effectively when compared to untreated fungal biomass. Optimum biosorption conditions for RB5 removal was determined as a function of dye concentration (50-400 mg/L), biosorbent concentration (100-500 mg/L), incubation time (1-7hrs), pH (3-8) and temperature (20-50 °C). At the optimum conditions, the maximum removal efficiency of RB5 achieved by NaOH pretreated A. flavus was 91%. The dye removal was studied kinetically and it obeys the pseudo-second order model and the experimental equilibrium data well fitted the Langmuir isotherm indicating monolayer adsorption of dye molecules on the biosorbent. The thermodynamic parameters such as a change in free energy (ΔG), enthalpy (ΔH) and entropy (ΔS) were calculated and negative values of ΔG suggested that the dye removal process was spontaneous at all temperatures. Furthermore, the values of ΔH revealed that the adsorption process was endothermic. Recovery of RB5 from the fungal biomass was effective using 0.1 M Na2CO3 as an eluent. The interaction of adsorbate with biosorbent was analyzed using UV-Vis and FT-IR spectroscopy, SEM and XRD analyses. Phytotoxicity and microbial toxicity studies revealed the non-toxic nature of the treated dye solution. Hence, the fungal biomass pretreated with NaOH was efficient in decolorizing RB5 as well as composite raw industrial effluent generated from dyeing industries.

Degradation of acid red 73 wastewater by hydrodynamic cavitation combined with ozone and its mechanism.

Many azo dyes are consumed in the textile and dyeing industry, which makes the wastewater recalcitrant and toxic to the aquatic environment. Dye degradation by the combination of hydrodynamic cavitation and ozone (HC + O3) has caused extensive interest. The degradation mechanism of the hybrid system needs further investigation. This study investigated the degradation of acid red 73 (AR73) by HC + O3. Meanwhile, the degradation pathways and mechanisms were present. The optimal operation parameters were: inlet pressure of 0.15 MPa, O3 dosage of 45 mg/min, initial dye concentration of 10 mg/L, and initial pH at 7.5. As a result, the decolorization rate, removal of UV254 and NH3-N were 100%, 71.28%, and 87.36% in 30 min, respectively. Humic acid and most of the co-existing anions (HCO3-, SO42-, Cl-, PO43-, NO3-) played a positive role in the degradation of AR73, while NO2- restrained. The reactive species of singlet oxygen (1O2), hydroxyl radicals (·OH) and super oxygen radicals (·O2-) showed synergism in the hybrid system, and the decolorization was attributed to the fracture of azo bonds by 1O2. Meanwhile, aromatic amines were generated and further degraded into small molecule compounds. The research certificated that the HC + O3 can be an effective technology for azo dye degradation.