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1.
Environ Sci Pollut Res Int ; 31(17): 25751-25768, 2024 Apr.
Artigo em Inglês | MEDLINE | ID: mdl-38488915

RESUMO

The fabrication of low-cost, highly efficient, environmentally friendly, and easily separable metal-free heterogeneous catalysts for environmental remediation remains a challenge. In this study, granular nitrogen-doped highly developed porous carbons with a particle size of 0.25-0.30 mm were prepared by preoxidation and subsequent NH3 modification of a commercially available coconut-based activated carbon, and used to activate peroxymonosulphate (KHSO5) or hydrogen peroxide (H2O2) to degrade bisphenol A (BPA). The nitrogen-doped carbon (ACON-950) prepared by NH3 modification at 950 °C, with the addition of only 0.15 g/L could remove 100% of 50 mg/L BPA in 150 min, and more than 90% of the removed BPA was due to degradation. The removal rates of total organic carbon of ACON-950/KHSO5 and ACON-950/H2O2 systems reached 60.4% and 66.2% respectively, indicating the excellent catalytic activity of ACON-950. The reaction rate constant was significantly positively correlated with the absolute content of pyridinic N (N-6) and graphitic N (N-Q) and negatively and weakly positively correlated with pyrrolic N (N-5) and defects. Quenching experiments combined with electron paramagnetic resonance demonstrated that singlet oxygen was the dominant reactive oxidative species for BPA degradation. ACON-950 was characterized before and after the degradation reaction using N2 adsorption-desorption analyzer, Raman spectroscopy, and X-ray photoelectron spectroscopy (XPS). The results confirmed the prominent contribution of both the N-6 and N-Q to the catalytic performance of nitrogen-doped carbons. The reusability of ACON-950 and its application in actual water bodies further demonstrated its remarkable potential for the remediation of organic pollutants in wastewater.


Assuntos
Compostos Benzidrílicos , Carvão Vegetal , Peróxido de Hidrogênio , Fenóis , Nitrogênio/química , Peróxidos/química , Metais
2.
Water Res ; 244: 120542, 2023 Oct 01.
Artigo em Inglês | MEDLINE | ID: mdl-37659176

RESUMO

Bimetallic composites (Fe@CoFe2O4) with zero-valent Fe as the core encapsulated by CoFe2O4 layers are synthesized by a coprecipitation-calcination method, which are applied to activate PMS for the degradation of bisphenol A (BPA). Enhanced activity of Fe@CoFe2O4 is achieved with very fast degradation rate (kobs = 0.5737 min-1). In the fixed-bed reactor, the catalyst lifetime (tul) of Fe@CoFe2O4 is determined to be 22 h compared to 11 h of Fe, and the deactivation rate constant (kd) for Fe@CoFe2O4 is 0.0083 mg·L-1·h-1, only ∼1/10 of Fe (0.0731). The XPS results indicate that the core-shell structure of Fe@CoFe2O4 could promote the redox cycles of Co3+/Co2+ and Fe3+/Fe2+. It is proved that the coating of CoFe2O4 shell on Fe0 can protect the Fe0 core from being oxidized by PMS to form passivation layer. The electrons of Fe0 can therefore be used effectively for activating PMS to produce ROSs via the CoFe2O4 shell. This modification method of Fe0 would decrease the cost of PMS based wastewater remediation greatly, thus should have great potential on an industrial scale.


Assuntos
Peróxidos , Águas Residuárias , Peróxidos/química , Oxirredução , Catálise
3.
Chemosphere ; 337: 139441, 2023 Oct.
Artigo em Inglês | MEDLINE | ID: mdl-37422218

RESUMO

In present work, a novel catalyst of cobalt supported on silica-composited biochar (Co@ACFA-BC) derived from fly ash and agricultural waste was synthesized. A series of characterizations confirmed that Co3O4 and Al/Si-O compounds were successfully embedded on the surface of biochar, which triggered superior catalytic activity for PMS activation towards phenol degradation. Particularly, the Co@ACFA-BC/PMS system could completely degrade phenol in the wide pH range, and was almost unaffected by environmental factors including humic acid (HA), H2PO4-, HCO3-, Cl-, and NO3-. Further quenching experiment and EPR analysis proved that both radical (SO4·-, ·OH, O2·-) and non-radical (1O2) pathways were involved in the catalytic reaction system, and the excellent PMS activation was attributed to the electron pair cycling of Co2+/Co3+ and the active sites provided by Si-O-O and Si/Al-O bonds on the catalyst surface. Meanwhile, the carbon shell effectively inhibited the leaching of metal ions, enabling the Co@ACFA-BC catalyst to maintain excellent catalytic activity after four cycles. Finally, biological acute toxicity assay demonstrated that the toxicity of phenol could be significantly reduced after being treated by Co@ACFA-BC/PMS. Overall, this work provides a promising strategy for solid waste valorization and a feasible methodology for green and efficient treatment of refractory organic pollutants in water environment.


Assuntos
Poluentes Ambientais , Peróxidos , Peróxidos/química , Dióxido de Silício , Fenóis , Oxirredução
4.
Molecules ; 28(7)2023 Mar 31.
Artigo em Inglês | MEDLINE | ID: mdl-37049892

RESUMO

The objective of this study was to synthesize a novel choline hydroxide ionic liquid-based tooth bleaching gel. Ionic liquid-based gels were synthesized and characterized using FTIR along with pH testing. Tooth sample preparation was carried out in line with ISO 28399:2020. The effects of synthesized gels on tooth samples were tested. Tooth samples were stained and grouped into three experimental groups: EAI (22% choline hydroxide gel), EAII (44% choline hydroxide gel), and EB (choline citrate gel) and two control groups: CA (commercial at-home 16% carbamide peroxide gel) and CB (deionized water). The tooth color analysis, which included shade matching with the Vitapan shade guide (n = 2), and digital colorimetric analysis (n = 2) were evaluated. The surface characteristics and hardness were analyzed with 3D optical profilometry, Scanning Electron Microscopy (SEM), Energy Dispersive X-ray Spectroscopy (EDX), and Microhardness testing (n = 3), respectively. The tooth color analysis (Vitapan shade guide) revealed that all the tooth samples treated with synthesized choline citrate gel (EB) showed an A1 shade as compared to the other four groups, giving a range of shades. An analysis of the ΔE values from digital colorimetry; EAI, EAII, CA, and CB showed ΔE values in a range that was clinically perceptible at a glance. However, EB showed the highest value of ΔE. The mean microhardness values for the five groups showed that the effects of three experimental gels i.e., 44% choline hydroxide, 22% choline hydroxide, and choline citrate, on the microhardness of the tooth samples were similar to that of the positive control, which comprised commercial at-home 16% carbamide peroxide gel. SEM with EDX of three tested subgroups was closely related in surface profile, elemental composition, and Ca/P ratio. The roughness average values from optical profilometry of four tested subgroups lie within approximately a similar range, showing a statistically insignificant difference (p > 0.05) between the tested subgroups. The synthesized novel experimental tooth bleaching gels displayed similar tooth bleaching actions without any deleterious effects on the surface characteristics and microhardness of the treated tooth samples when compared with the commercial at-home tooth bleaching gel.


Assuntos
Líquidos Iônicos , Clareamento Dental , Clareamento Dental/métodos , Peróxido de Carbamida , Peróxidos/química , Ureia/química , Análise Custo-Benefício , Géis , Peróxido de Hidrogênio/química
5.
Chemosphere ; 303(Pt 2): 135185, 2022 Sep.
Artigo em Inglês | MEDLINE | ID: mdl-35660396

RESUMO

A low-cost and environment-friendly biochar/geopolymer composite loaded with Fe and Cu nanoparticles (Fe-Cu@BC-GM) was prepared by impregnation-calcination using lignin and kaolin as precursors. SEM, FTIR and XRD analysis suggested that the Fe-Cu@BC-GM had a certain pore structure, rich functional groups and stable crystal structure. The obtained Fe-Cu@BC-GM was used as the catalyst of potassium peroxymonosulfate (PMS) for remediation of wastewater and soil polluted by naphthalene (NAP). Experimental results indicated that Fe-Cu@BC-GM exhibited outstanding catalytic performance, and the maximum degradation rate of NAP in water and soil reached 98.35% and 67.98% within 120 min, respectively. The XPS measurement confirmed the presence of successive Fe (Ⅲ)/Fe (Ⅱ) and Cu(Ⅱ)/Cu(Ⅰ) redox pairs cycles on the surface of Fe-Cu@BC-GM, which made Fe (Ⅲ) and Cu(Ⅰ) continuously generated Fe (Ⅱ) activating PMS to produce SO4·- and ·OH for the degradation of NAP. The effects of Fe-Cu@BC-GM/PMS system on plant toxicity were evaluated by analyzing the degradation intermediates and bioassay of mung bean. It was proved that the Fe-Cu@BC-GM/PMS system could degrade NAP into less toxic intermediates, and the seed germination rate, root and stem length of mung bean after soil remediation were not notably different from those of the uncontaminated soil. This work opened new prospect for the application of geopolymer in degradation of persistent organic pollutants (POPs) and provided a cost-effective option for the remediation of the persistent organic pollutants contaminated water and soil.


Assuntos
Cobre , Nanopartículas , Carvão Vegetal/química , Cobre/química , Ferro/química , Naftalenos , Peróxidos/química , Poluentes Orgânicos Persistentes , Pós , Solo , Água
6.
J Hazard Mater ; 435: 129013, 2022 08 05.
Artigo em Inglês | MEDLINE | ID: mdl-35523092

RESUMO

A series of Co(II)-CeO2 mixed metal oxides were synthesized by a facile hydrothermal-calcination procedure for activating peroxymonosulfate (PMS) and degrading toxic and difficult biodegradable organics. Co(II)-CeO2 showed excellent degradation performance toward rhodamine B (RhB), toluidine blue, methylene blue and diclofenac. RhB is a refractory organic contaminant, and ecotoxicological evaluation unraveled its harmfulness to the biosphere. RhB was selected as the model pollutant to investigate catalytic mechanisms. Parameters affecting degradation performance were profoundly investigated, including Co:Ce feed ratio, initial pH, PMS dosage, catalyst dosage, RhB concentration, coexisting ions and reaction temperature. Reaction mechanisms were proposed based on density functional theory calculations and identifications of reactive oxygen species. Improvements have been achieved in seven aspects compared to previous studies, including 100% degradation ratio in both real water samples and each reuse of the catalyst, ultrafast degradation rate, cost-effectiveness of the catalyst, toxicity-attenuation provided by the developed degradation method, high degree of mineralization for the model pollutant, negligible leaching of active sites, and the enhancement of catalytic performance by utilizing trace leached cobalt, endowing the technique with broad applicability and prospect.


Assuntos
Poluentes Ambientais , Peróxidos , Catálise , Cobalto/química , Cobalto/toxicidade , Peróxidos/química
7.
Ecotoxicol Environ Saf ; 220: 112381, 2021 Sep 01.
Artigo em Inglês | MEDLINE | ID: mdl-34091184

RESUMO

Developing monolithic carbon-based catalyst with low cost, easy separation and high performance to degrade pollutants via PMS activation is crucial. In this work, a series of novel monolithic Me-CA catalysts based on biomass derived carbon aerogel were prepared by hydrothermal method using waste watermelon peel as raw material. Co-CA catalyst showed excellent performance to activate PMS for 2, 4-DCP degradation in different temperature and different water matrices. Different pollutants, such as ciprofloxacin (CIP), bisphenol A (BPA), and 2, 4-dichlorophenoxyacetic acid (2, 4-D) could also be removed in the Co-CA/PMS system. As expected, Co-CA could be easily separated from degraded solution, and show high stability and reusability for PMS activation with a lower cobalt leaching. Based on the results of the quenching tests, electron paramagnetic resonance (EPR) spectra, Chronoamperometric test (i-t curves) and electro-chemical impedance spectroscopy (EIS), the PMS activation mechanism was proposed. The phytotoxicity assessment determined by germination situation of mung bean indicated that PMS activation could eliminate the hazards of 2, 4-D. Therefore, this study provides a low cost, efficient and environmental-friendly monolithic biomass carbon aerogel catalyst for different pollutants degradation, which further advances monolithic catalyst for practical wastewater treatment.


Assuntos
Carbono/química , Cobalto/química , Recuperação e Remediação Ambiental/métodos , Peróxidos/química , Ácido 2,4-Diclorofenoxiacético/química , Ácido 2,4-Diclorofenoxiacético/toxicidade , Biomassa , Catálise , Poluentes Ambientais/química , Poluentes Ambientais/toxicidade , Eliminação de Resíduos , Vigna/efeitos dos fármacos
8.
Molecules ; 25(22)2020 Nov 13.
Artigo em Inglês | MEDLINE | ID: mdl-33202876

RESUMO

Seeking to enrich the yet less explored field of scorpionate complexes bearing antioxidant properties, we, here, report on the synthesis, characterization and assessment of the antioxidant activity of new complexes derived from three scorpionate ligands. The interaction between the scorpionate ligands thallium(I) hydrotris(5-methyl-indazolyl)borate (TlTp4Bo,5Me), thallium(I) hydrotris(4,5-dihydro-2H-benzo[g]indazolyl)borate (TlTpa) and potassium hydrotris(3-tert-butyl- pyrazolyl)borate (KTptBu), and metal(II) chlorides, in dichloromethane at room temperature, produced a new family of complexes having the stoichiometric formula [M(Tp4Bo,5Me)2] (M = Cu, 1; Zn, 4; Cd, 7), [M(Tpa)2] (M = Cu, 2; Zn, 5; Cd, 8), [Cu(HpztBu)3Cl2] (3), [Zn(TptBu)Cl] (6) and [Cd(BptBu)(HpztBu)Cl] (9). The obtained metal complexes were characterized by Fourier transform infrared spectroscopy, proton nuclear magnetic resonance and elemental analysis, highlighting the total and partial hydrolysis of the scorpionate ligand TptBu during the synthesis of the Cu(II) complex 3 and the Cd(II) complex 9, respectively. An assessment of the antioxidant activity of the obtained metal complexes was performed through both enzymatic and non-enzymatic assays against 1,1-diphenyl-2-picryl- hydrazyl (DPPH·), 2,2'-Azino-bis(3-ethylbenzothiazoline-6-sulfonic acid) (ABTS+·), hydroxyl (HO·), nitric oxide (NO·), superoxide (O2-) and peroxide (OOH·) radicals. In particular, the complex [Cu(Tpa)2]⋅0.5H2O (2) exhibited significant antioxidant activity, as good and specific activity against superoxide (O2-·), (IC50 values equal to 5.6 ± 0.2 µM) and might be identified as auspicious SOD-mimics (SOD = superoxide dismutase).


Assuntos
Antioxidantes/análise , Cádmio/análise , Cobre/análise , Zinco/análise , Benzotiazóis/química , Compostos de Bifenilo/química , Radical Hidroxila/química , Concentração Inibidora 50 , Ligantes , Espectroscopia de Ressonância Magnética , Óxido Nítrico/química , Peróxidos/química , Picratos/química , Espectroscopia de Infravermelho com Transformada de Fourier , Ácidos Sulfônicos/química , Superóxidos/química , Temperatura , Tálio/química
9.
J Hazard Mater ; 384: 121340, 2020 02 15.
Artigo em Inglês | MEDLINE | ID: mdl-31605976

RESUMO

Graphene has been applied as a catalyst in peroxymonosulfate (PMS) activation for the removal of pharmaceuticals in water. Firstly, a kinetic adsorption study of PMS was developed, fitting the results to the Elovich's equation. Moreover, the influence of the main variables in the adsorptive process such as pH, initial PMS concentration, and graphene dose were assessed. Secondly, the degradation of diclofenac as a target compound was studied comparing PMS-catalytic versus adsorption processes. PMS-catalytic process enhanced the removal of the micropollutant if compared to adsorption when using a low dose of graphene (less than 50 mg L-1) or after surface saturation. Studies using radical scavengers suggested the lack of radicals in the process, suggesting the non-radical activation of PMS. Thirdly, the adsorption versus PMS-catalytic processes were also compared for the oxidation of a mixture of three antibiotics (norfloxacin, tetracycline and sulfamethoxazole) with different chemical structure. PMS-catalytic activation was more effective for the removal of those compounds that presented less affinity towards adsorption onto the graphene surface. Finally, characterization of the fresh and PMS-treated material was performed. Graphene demonstrated to be stable after its use as catalysts in PMS activation, suffering only slight transformation of the surface oxidation groups.


Assuntos
Resíduos de Drogas/isolamento & purificação , Grafite/química , Peróxidos/química , Purificação da Água/métodos , Adsorção , Antibacterianos/química , Antibacterianos/isolamento & purificação , Catálise , Sequestradores de Radicais Livres/química , Concentração de Íons de Hidrogênio , Cinética , Poluentes Químicos da Água/isolamento & purificação
10.
Chemosphere ; 218: 299-307, 2019 Mar.
Artigo em Inglês | MEDLINE | ID: mdl-30476761

RESUMO

Diclofenac was frequently found in various waters, indicating conventional wastewater treatment methods ineffective in its removal. In this study, LaFeO3 (LFO) was synthesized and its catalytic activity of LFO as the activator of different oxidants such as persulfate (PS), hydrogen peroxide and peroxylmonosulfate (PMS) was evaluated in terms of DCF degradation. The influence of calcination temperature was examined on the catalytic activity of LFO. The effects of various parameters including pH levels, PMS concentration, LFO dose and initial DCF concentration were investigated on DCF degradation rate. The marginal effects of PMS concentration and LFO dose were compared. Langmuir-Hinshelwood (LH) model was used to quantitatively describe DCF degradation reaction in LFO/PMS system. The two constants, k (Limiting reaction rate at maximum coverage) and K (Equilibrium adsorption constant), were determined on the basis of LH model. The performance of LFO/PMS process was also estimated in the presence of various inorganic anions. The potential toxicity of LFO and PMS were evaluated using phytoplankton and the toxicity evolution during DCF degradation was also investigated using luminescent bacteria. This contribution provides a basic study regarding the potential application of heterogeneous PMS activation by perovskite LFO for both DCF removal and toxicity elimination.


Assuntos
Diclofenaco/química , Óxidos/química , Peróxidos/química , Poluentes Químicos da Água/química , Poluentes Químicos da Água/toxicidade , Adsorção , Compostos de Cálcio/química , Catálise , Peróxido de Hidrogênio/química , Concentração de Íons de Hidrogênio , Cinética , Oxidantes/química , Oxirredução , Óxidos/toxicidade , Peróxidos/toxicidade , Photobacterium/efeitos dos fármacos , Fitoplâncton/efeitos dos fármacos , Temperatura , Titânio/química , Testes de Toxicidade Aguda
11.
Sci Total Environ ; 652: 1051-1061, 2019 Feb 20.
Artigo em Inglês | MEDLINE | ID: mdl-30586792

RESUMO

This research reports for the first time the full-scale application of different homogeneous Advanced Oxidation Processes (AOPs) (H2O2/UV-C, PMS/UV-C and PMS/Fe(II)/UV-C) for the removal of antibiotics (ABs) and antibiotic resistance genes (ARGs) from wastewater effluent at Estiviel wastewater treatment plant (WWTP) (Toledo, Spain). AOPs based on the photolytic decomposition of H2O2 and peroxymonosulfate tested at low dosages (0.05-0.5 mM) and with very low UV-C contact time (4-18 s) demonstrated to be more efficient than UV-C radiation alone on the removal of the analyzed ABs. PMS (0.5 mM) combined with UV-C (7 s contact time) was the most efficient treatment in terms of AB removal: 7 out of 10 ABs detected in the wastewater were removed more efficiently than using the other oxidants. In terms of ARGs removal efficiency, UV-C alone seemed the most efficient treatment, although H2O2/UV-C, PMS/UV-C and PMS/Fe(II)/UV-C were supposed to generate higher concentrations of free radicals. The results show that treatments with the highest removal of ABs and ARGs did not coincide, which could be attributed to the competition between DNA and oxidants in the absorption of UV photons, reducing the direct photolysis of the DNA. Whereas the photolytic ABs removal is improved by the generation of hydroxyl and sulfate radicals, the opposite behavior occurs in the case of ARGs. These results suggest that a compromise between ABs and ARGs removal must be achieved in order to optimize wastewater treatment processes.


Assuntos
Antibacterianos/análise , Oxidantes/química , Raios Ultravioleta , Águas Residuárias/química , Poluentes Químicos da Água/análise , Purificação da Água/métodos , Antibacterianos/efeitos da radiação , Catálise , Peróxido de Hidrogênio/química , Oxirredução , Peróxidos/química , Fotólise , Espanha , Poluentes Químicos da Água/efeitos da radiação
12.
Photochem Photobiol Sci ; 14(3): 569-75, 2015 Mar.
Artigo em Inglês | MEDLINE | ID: mdl-25371356

RESUMO

The degradation and mineralization of the nonionic surfactant octylphenol ethoxylate (OPEO), commercially known as Triton™ X-45, by the peroxymonosulfate (PMS)/UV-C process were investigated. Three different toxicity tests (Daphnia magna, Vibrio fischeri and Pseudokirchneriella subcapitata) as well as the Yeast Estrogen Screen (YES) bioassay were undertaken to evaluate the potential toxic and estrogenic effects of OPEO and its oxidation products. OPEO removal was very fast and complete after 7 min via PMS/UV-C treatment under the investigated reaction conditions (OPEO = 20 mg L(-1) (47 µM); TOC = 12 mg L(-1); PMS = 2.5 mM; initial reaction pH = 6.5; applied UV-C dose = 21 Wh L(-1)). TOC removal also proceeded rapidly; a gradual decrease was observed resulting in an overall TOC removal of 84%. The toxic responses of PMS/UV-C treated OPEO solutions varied according to the test organism used in the bioassay. Daphnia magna was found to be most sensitive to aqueous OPEO, whereas Pseudokirchneriella subcapitata appeared to be the least sensitive one. Daphnia magna and Vibrio fischeri tests revealed that the inhibitory effect of OPEO decreased significantly during the course of treatment. On the other hand, PMS/UV-C oxidation products exhibited a high toxic effect towards Pseudokirchneriella subcapitata (around 60%). YES test results underlined the need for improving the PMS/UV-C treatment performance to remove the estrogenic activity of OPEO and its oxidation products.


Assuntos
Octoxinol/química , Octoxinol/toxicidade , Peróxidos/química , Fotólise , Testes de Toxicidade , Raios Ultravioleta , Animais , Bioensaio , Poluentes Ambientais/química , Poluentes Ambientais/isolamento & purificação , Poluentes Ambientais/toxicidade , Estrogênios/química , Estrogênios/isolamento & purificação , Estrogênios/toxicidade , Octoxinol/isolamento & purificação , Oxirredução , Tensoativos/química , Tensoativos/isolamento & purificação , Tensoativos/toxicidade
13.
Artigo em Inglês | MEDLINE | ID: mdl-25438131

RESUMO

The effects of oxygen-releasing compound (ORC) on the control of phosphorus (P) release as well as the spatial and temporal distribution of P fractions in sediment were studied through a bench-scale test. An ORC with an extended oxygen-releasing capacity was prepared. The results of the oxygen-releasing test showed that the ORC provided a prolonged period of oxygen release with a highly effective oxygen content of 60.6% when compared with powdery CaO2. In the bench-scale test, an ORC dose of 180 g·m(-2) provided a higher inhibition efficiency for P release within 50 days. With the application of the ORC, the dissolved oxygen (DO) concentration and redox potential (ORP) of the overlying water were notably improved, and the dissolved total phosphorus (DTP) was maintained below 0.689 mg·L(-1) compared to 2.906 mg·L(-1) without the ORC treatment. According to the P fractions distribution, the summation of all detectable P fractions in each sediment layer exhibited an enhanced accumulation tendency with the application of ORC. Higher phosphorus retention efficiencies were observed in the second and third layers of sediment from days 10 to 20 with the ORC. Phosphorus was trapped mainly in the form of iron bound P (Fe-P) and organically bound P (O-P) in sediment with the ORC, whereas the effects of the ORC on exchangeable P (EX-P), apatite-associated P (A-P) and detrital P (De-P) in the sediment sample were not significant. The microbial activities of the sediment samples demonstrated that both the dehydrogenase activity (DHA) and alkaline phosphatase activity (APA) in the upper sediment layer increased with the ORC treatment, which indicated that the mineralization of P was accelerated and the microbial biomass was increased. As the accumulation of P suppressed the release of P, the sediment exhibited an increased P retention efficiency with the application of the ORC.


Assuntos
Sedimentos Geológicos/química , Oxigênio/química , Peróxidos/química , Fósforo/análise , Álcool de Polivinil/química , Poluentes Químicos da Água/análise , Biodegradação Ambiental , Oxirredução , Rios/química , Propriedades de Superfície
14.
J Phys Chem A ; 117(16): 3428-41, 2013 Apr 25.
Artigo em Inglês | MEDLINE | ID: mdl-23506155

RESUMO

In order to model the properties and chemical composition of secondary organic aerosol (SOA), estimated physical property data for many thousands of organic compounds are required. Seven methods for estimating liquid density are assessed against experimental data for a test set of 56 multifunctional organic compounds. The group contribution method of Schroeder coupled with the Rackett equation using critical properties by Nannoolal was found to give the best liquid density values for this test set. During this work some problems with the representation of certain groups (aromatic amines and phenols) within the critical property estimation methods were identified, highlighting the importance (and difficulties) of deriving the parameters of group contribution methods from good quality experimental data. A selection of the estimation methods are applied to the 2742 compounds of an atmospheric chemistry mechanism, which showed that they provided consistent liquid density values for compounds with such atmospherically important (but poorly studied) functional groups as hydroperoxide, peroxide, peroxyacid, and PAN. Estimated liquid density values are also presented for a selection of compounds predicted to be important in atmospheric SOA. Hygroscopic growth factor (a property expected to depend on liquid density) has been calculated for a wide range of particle compositions. A low sensitivity of the growth factor to liquid density was found, and a single density value of 1350 kg·m(-3) could be used for all multicomponent SOA in the calculation of growth factors for comparison with experimentally measured values in the laboratory or the field without incurring significant error.


Assuntos
Aerossóis/química , Poluentes Atmosféricos/química , Atmosfera/análise , Compostos Orgânicos Voláteis/química , Aminas/química , Modelos Químicos , Peróxidos/química , Transição de Fase , Fenóis/química , Água/química
15.
J Chem Phys ; 138(5): 054120, 2013 Feb 07.
Artigo em Inglês | MEDLINE | ID: mdl-23406111

RESUMO

The purpose is to fit an accurate smooth function of the many-body expansion type to a multidimensional large data set using a basis-set type method. By adopting a combined-hyperbolic-inverse-power-representation for the basis, the novel approach is tested in detail for the ground electronic state of tri-hydrogen and hydroperoxyl systems, assuming that their potential energy surfaces are single-sheeted representable. It is also shown that the method can be easily applicable to potential energy curves by considering as prototypes molecular oxygen and the hydroxyl radical.


Assuntos
Peróxidos/química , Teoria Quântica , Trítio/química , Propriedades de Superfície
16.
Gen Dent ; 61(1): 33-5, 2013.
Artigo em Inglês | MEDLINE | ID: mdl-23302360

RESUMO

This in vitro study assessed the amount of mercury (Hg) released from a silver amalgam alloy following the application of different 10% carbamide peroxide bleaching agents. A total of 30 specimens (2 mm thick x 4 mm in diameter) were stored in deionized water at 37°C for 7 days. Next, the control group (n = 10) remained in the deionized water for 15 days, while the remaining samples were exposed to 1 of 2 bleaching agents (n = 10) for 8 hours daily (total exposure = 120 hours); for the remaining 16 hours, specimens in the test groups were stored in deionized water at 37°C under relative humidity. After this period, the quantity of Hg in the deionized water was assessed (using atomic absorption spectrophotometry) and compared to the amount of Hg at baseline. The results indicate that exposing amalgam alloys to bleaching agents released greater amounts of Hg compared to exposing samples to deionized [corrected] water.


Assuntos
Clareadores/química , Ligas Dentárias/química , Amálgama Dentário/química , Mercúrio/análise , Peróxidos/química , Prata/química , Clareamento Dental/efeitos adversos , Ureia/análogos & derivados , Clareadores/efeitos adversos , Peróxido de Carbamida , Peróxidos/efeitos adversos , Espectrofotometria Atômica , Ureia/efeitos adversos , Ureia/química
17.
Prep Biochem Biotechnol ; 42(3): 249-66, 2012.
Artigo em Inglês | MEDLINE | ID: mdl-22509850

RESUMO

Vegetable edible oils and fats are mainly used for frying purposes in households and the food industry. The oil undergoes degradation during frying and hence has to be replaced from time to time. Rhamnolipids are produced by microbial cultivation using refined vegetable oils as a carbon source and Pseudomonas aeruginosa (ATCC 10145). The raw material cost accounts for 10-30% of the overall cost of biosurfactant production and can be reduced by using low-cost substrates. In this research, attention was focused on the preparation of rhamnolipids, which are biosurfactants, using potential frying edible oils as a carbon source via a microbial fermentation technique. The use of low-cost substrates as a carbon source was emphasized to tilt the cost of production for rhamnolipids. The yield was 2.8 g/L and 7.5 g/L from waste frying oil before and after activated earth treatment, respectively. The crude product contained mainly dirhamnolipids, confirmed by thin-layer chromatography (TLC), high-performance liquid chromatography (HPLC), liquid chromatography-mass spectroscopy (LC-MS), and (1)H-nuclear magnetic resonance (NMR). Hence, the treatment can be used to convert waste frying oil as a low-cost substrate into a cost-effective carbon source.


Assuntos
Glicolipídeos/biossíntese , Óleos de Plantas/química , Pseudomonas aeruginosa/química , Biodegradação Ambiental , Carbono/química , Cromatografia Líquida de Alta Pressão , Cromatografia em Camada Fina , Fermentação , Helianthus/química , Temperatura Alta , Ácido Linoleico/química , Espectroscopia de Ressonância Magnética , Peróxidos/análise , Peróxidos/química , Óleos de Plantas/análise , Pressão , Pseudomonas aeruginosa/crescimento & desenvolvimento , Óleo de Girassol , Tensão Superficial , Tensoativos/química , Fatores de Tempo , Viscosidade , Resíduos/análise
18.
Water Sci Technol ; 61(4): 963-70, 2010.
Artigo em Inglês | MEDLINE | ID: mdl-20182075

RESUMO

In the present study, several water recovery and end-of-pipe wastewater treatment alternatives were evaluated towards the evaluation of Best Available Techniques (BATs) for the management of wastewaters from a denim textile mill in accordance with the European Union's Integrated Pollution Prevention and Control (IPPC) Directive. For this purpose, an assessment that translates the key environmental aspects into a quantitative measure of environmental performance and also financial analysis was performed for each of the alternatives. The alternatives considered for water recovery from dyeing wastewaters were nanofiltration (NF) with coagulation and/or microfiltration (MF) pre-treatment, ozonation or peroxone and Fenton oxidation. On the other hand, for the end-of-pipe treatment of the mill's mixed wastewater, ozonation, Fenton oxidation, membrane bioreactor (MBR) and activated sludge (AS) process followed by membrane filtration technologies were evaluated. The results have indicated that membrane filtration process with the least environmental impacts is the BAT for water recovery. On the other side, MBR technology has appeared as the BAT for the end-of-pipe treatment of the mill's mixed wastewater. A technical and financial comparison of these two BAT alternatives revealed that water recovery via membrane filtration from dyeing wastewaters is selected as the BAT for the water and wastewater management in the mill.


Assuntos
Corantes/isolamento & purificação , Eliminação de Resíduos Líquidos/métodos , Poluentes Químicos da Água/isolamento & purificação , Purificação da Água/métodos , Reatores Biológicos , Análise Custo-Benefício , Filtração , Resíduos Industriais , Oxigênio/química , Ozônio/química , Peróxidos/química , Indústria Têxtil , Têxteis , Turquia , Purificação da Água/economia
19.
Bioresour Technol ; 100(23): 6107-13, 2009 Dec.
Artigo em Inglês | MEDLINE | ID: mdl-19608415

RESUMO

Recent studies suggest that olive leaf is a significant source of bioactive phenolic compounds comparable to olive oil and fruits. Identifying appropriate extraction methods is thus an important step to increase the yield of such bioactive components from olive leaf, which is otherwise agricultural waste. The present study evaluates phenolic contents and compositions of olive leaf extracted by several solvent methods and to further establish their antioxidant activities using various radical scavenging systems. Total flavonoid and phenolic contents were significantly higher in the 80% ethanol extract, butanol, and ethylacetate fractions than hexane, chloroform and water fractions (p<0.05). Oleuropein was identified as a major phenolic compound with considerable contents in these major three fractions and the extract that correlated with their higher antioxidant and radical scavenging. These results indicate that olive leaf contains significant amounts of oleuropein and phenolics, important factors for antioxidant capacity, which can be substantially modified by different extraction methods.


Assuntos
Antioxidantes/metabolismo , Olea/metabolismo , Fenóis/química , Extratos Vegetais/farmacologia , Agricultura/métodos , Antioxidantes/química , Clorofórmio/química , Sequestradores de Radicais Livres , Hexanos/química , Resíduos Industriais , Glucosídeos Iridoides , Iridoides , Ácido Linoleico/química , Oxigênio/química , Peróxidos/química , Fenol , Piranos/química , Água/química
20.
J Hazard Mater ; 170(2-3): 729-34, 2009 Oct 30.
Artigo em Inglês | MEDLINE | ID: mdl-19520497

RESUMO

As part of our efforts to identify effective ways and means to keep source water safe, the concept of risk assessment and management is introduced in this paper to address the issue of risk assessment and management of arsenic in source water in China. Carcinogenic and non-carcinogenic risk are calculated for different concentrations of arsenic in source water using the corrective equation between potential health risk and concentration of arsenic in source water with purification process taken into consideration. It is justified through analyses that risk assessment and management is suitable for China to control pollution of source water. The permissible content of arsenic in source water should be set at 0.01 mg/L at present in China, and necessary risk management measures include control contaminated sources and improvement of purification efficiency.


Assuntos
Arsenicais/efeitos adversos , Poluentes Químicos da Água/efeitos adversos , Poluição Química da Água/efeitos adversos , Arsenicais/análise , Arsenicais/isolamento & purificação , China , Análise Custo-Benefício , Saúde , Humanos , Peróxidos/química , Medição de Risco , Gestão de Riscos , Poluentes Químicos da Água/análise , Poluição Química da Água/análise
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